Cas no 173068-90-1 (5-Pyrimidinemethanol, a-(1-methylethyl)-, (aS)-)
173068-90-1 structure
Product Name:5-Pyrimidinemethanol, a-(1-methylethyl)-, (aS)-
CAS No:173068-90-1
MF:C8H12N2O
MW:152.193681716919
CID:111554
PubChem ID:11240594
Update Time:2025-04-18
5-Pyrimidinemethanol, a-(1-methylethyl)-, (aS)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinemethanol, a-(1-methylethyl)-, (aS)-
- 5-Pyrimidinemethanol, -alpha--(1-methylethyl)-, (-alpha-S)- (9CI)
- (1S)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
- (S)-2-Methyl-1-(pyrimidin-5-yl)propan-1-ol
- SCHEMBL8817819
- 173068-90-1
- (s)-2-methyl-1-(5-pyrimidyl)-propan-1-ol
-
- Inchi： 1S/C8H12N2O/c1-6(2)8(11)7-3-9-5-10-4-7/h3-6,8,11H,1-2H3/t8-/m0/s1
- InChI Key： VPPNKTHBLIUONT-QMMMGPOBSA-N
- SMILES： O[C@H](C1=CN=CN=C1)C(C)C
Computed Properties
- Exact Mass: 152.094963011g/mol
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 111
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 46?2
5-Pyrimidinemethanol, a-(1-methylethyl)-, (aS)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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