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

C15H14ClFN6 — CID 166630677

IUPAC4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)n(-c2cc(Nc3cc(F)ccc3Cl)nc(N)n2)n1
InChIInChI=1S/C15H14ClFN6/c1-8-5-9(2)23(22-8)14-7-13(20-15(18)21-14)19-12-6-10(17)3-4-11(12)16/h3-7H,1-2H3,(H3,18,19,20,21)
InChIKeyBQGUTCLIUQHONQ-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.40
Rot. Bonds3

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

4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine (PubChem CID 166630677) has the molecular formula C15H14ClFN6 and a molecular weight of 332.77 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
PubChem CID166630677
Molecular FormulaC15H14ClFN6
Molecular Weight332.77 g/mol
Exact Mass332.10
IUPAC Name4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)n(-c2cc(Nc3cc(F)ccc3Cl)nc(N)n2)n1
InChIInChI=1S/C15H14ClFN6/c1-8-5-9(2)23(22-8)14-7-13(20-15(18)21-14)19-12-6-10(17)3-4-11(12)16/h3-7H,1-2H3,(H3,18,19,20,21)
InChIKeyBQGUTCLIUQHONQ-UHFFFAOYSA-N
XLogP3.40
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307386
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741601
N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1086759
N-(2-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743053
N-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777190
3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
(2,3-Dichloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1088124
(2,4-Dichloro-phenyl)-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1088126
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine
CID 867936

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine (CID 166630677) is 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine is Cc1cc(C)n(-c2cc(Nc3cc(F)ccc3Cl)nc(N)n2)n1.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
The InChIKey is BQGUTCLIUQHONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6/c1-8-5-9(2)23(22-8)14-7-13(20-15(18)21-14)19-12-6-10(17)3-4-11(12)16/h3-7H,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine?
4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine has a molecular weight of 332.77 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166630677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).