3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol

C13H15ClN4O — CID 11369471

IUPAC3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol
SMILESNc1nc(N)c(-c2cccc(Cl)c2)c(CCCO)n1
InChIInChI=1S/C13H15ClN4O/c14-9-4-1-3-8(7-9)11-10(5-2-6-19)17-13(16)18-12(11)15/h1,3-4,7,19H,2,5-6H2,(H4,15,16,17,18)
InChIKeyURNIAKXYUQJBFB-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.89
Rot. Bonds4

About 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol

3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol (PubChem CID 11369471) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol
PubChem CID11369471
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol
SMILESNc1nc(N)c(-c2cccc(Cl)c2)c(CCCO)n1
InChIInChI=1S/C13H15ClN4O/c14-9-4-1-3-8(7-9)11-10(5-2-6-19)17-13(16)18-12(11)15/h1,3-4,7,19H,2,5-6H2,(H4,15,16,17,18)
InChIKeyURNIAKXYUQJBFB-UHFFFAOYSA-N
XLogP1.89
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
CID 134621
3-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)-propan-1-ol
CID 11288025
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol?
The IUPAC name of 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol (CID 11369471) is 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol?
The canonical SMILES for 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol is Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCO)n1.
What is the InChIKey of 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol?
The InChIKey is URNIAKXYUQJBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-9-4-1-3-8(7-9)11-10(5-2-6-19)17-13(16)18-12(11)15/h1,3-4,7,19H,2,5-6H2,(H4,15,16,17,18).
What are the key properties of 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol?
3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol has a molecular weight of 278.74 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propan-1-ol is sourced from PubChem (CID 11369471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).