Cas no 872511-13-2 (4,6-Pyrimidinediamine, N-(3-chlorophenyl)-)
872511-13-2 structure
Product Name:4,6-Pyrimidinediamine, N-(3-chlorophenyl)-
CAS No:872511-13-2
MF:C10H9ClN4
MW:220.65826010704
CID:1867639
PubChem ID:66669982
Update Time:2025-04-21
4,6-Pyrimidinediamine, N-(3-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Pyrimidinediamine, N-(3-chlorophenyl)-
- N4-(3-chlorophenyl)-4,6-pyrimidinediamine
- YEESRFWVWLZFDI-UHFFFAOYSA-N
- N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
- DB-199389
- PBY
- N-(3-Chloro-phenyl)-pyrimidine-4,6-diamine
- SCHEMBL374472
- AKOS019329211
- 872511-13-2
-
- Inchi： 1S/C10H9ClN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15)
- InChI Key： YEESRFWVWLZFDI-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)NC1C=C(N)N=CN=1
Computed Properties
- Exact Mass: 220.0515740Da
- Monoisotopic Mass: 220.0515740Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 202
- 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: 2.4
- Topological Polar Surface Area: 63.8?2
4,6-Pyrimidinediamine, N-(3-chlorophenyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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