Cas no 405928-83-8 (Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI))
405928-83-8 structure
Product Name:Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI)
CAS No:405928-83-8
MF:C11H10N2O2
MW:202.209302425385
CID:925952
PubChem ID:22599681
Update Time:2025-04-19
Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI)
- LOIUTYIFMVOKIF-UHFFFAOYSA-N
- 4-(3-Butyn-1-yloxy)-6-(2-propyn-1-yloxy)pyrimidine
- 405928-83-8
- SCHEMBL5410828
- 4-(3-butynyloxy)-6-(2-propynyloxy)pyrimidine
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- Inchi: 1S/C11H10N2O2/c1-3-5-7-15-11-8-10(12-9-13-11)14-6-4-2/h1-2,8-9H,5-7H2
- InChI Key: LOIUTYIFMVOKIF-UHFFFAOYSA-N
- SMILES: O(C1C=C(N=CN=1)OCC#C)CCC#C
Computed Properties
- Exact Mass: 202.074227566g/mol
- Monoisotopic Mass: 202.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 44.2?2
Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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