2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

C15H14ClN5O — CID 112929887

IUPAC2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C)on2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H14ClN5O/c1-9-7-13(19-14-8-10(2)22-21-14)20-15(17-9)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyWQJZAOHVYPBGMU-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.22
Rot. Bonds4

About 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 112929887) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
PubChem CID112929887
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C)on2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H14ClN5O/c1-9-7-13(19-14-8-10(2)22-21-14)20-15(17-9)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyWQJZAOHVYPBGMU-UHFFFAOYSA-N
XLogP4.22
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112930079
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 112932340
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112922714
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932237
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931774

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (CID 112929887) is 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C)on2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is WQJZAOHVYPBGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-9-7-13(19-14-8-10(2)22-21-14)20-15(17-9)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 315.76 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112929887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).