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

C15H15ClN6 — CID 166635038

IUPAC4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)n(-c2cc(Nc3cccc(Cl)c3)nc(N)n2)n1
InChIInChI=1S/C15H15ClN6/c1-9-6-10(2)22(21-9)14-8-13(19-15(17)20-14)18-12-5-3-4-11(16)7-12/h3-8H,1-2H3,(H3,17,18,19,20)
InChIKeyWKORTUOTAZLKMS-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.26
Rot. Bonds3

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

4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine (PubChem CID 166635038) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
PubChem CID166635038
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)n(-c2cc(Nc3cccc(Cl)c3)nc(N)n2)n1
InChIInChI=1S/C15H15ClN6/c1-9-6-10(2)22(21-9)14-8-13(19-15(17)20-14)18-12-5-3-4-11(16)7-12/h3-8H,1-2H3,(H3,17,18,19,20)
InChIKeyWKORTUOTAZLKMS-UHFFFAOYSA-N
XLogP3.26
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
Pyrazolopyrimidine deriv. 2
CID 5327821
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
1-Tert-Butyl-N~3~-(3-Chlorophenyl)-1h-Pyrazolo[3,4-D]pyrimidine-3,4-Diamine
CID 129900194
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741601
N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
N-(3-chloro-4-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741602
GUANIDINE, 1-(p-CHLOROPHENYL)-3-(4,6-DIMETHYL-2-PYRIMIDINYL)-
CID 5726586

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine (CID 166635038) is 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine is Cc1cc(C)n(-c2cc(Nc3cccc(Cl)c3)nc(N)n2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
The InChIKey is WKORTUOTAZLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c1-9-6-10(2)22(21-9)14-8-13(19-15(17)20-14)18-12-5-3-4-11(16)7-12/h3-8H,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine has a molecular weight of 314.78 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166635038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).