N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine

C16H15ClFN5 — CID 16800218

IUPACN-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H15ClFN5/c1-9-7-15(20-12-4-5-14(18)13(17)8-12)21-16(19-9)23-11(3)6-10(2)22-23/h4-8H,1-3H3,(H,19,20,21)
InChIKeyLBSKGGZCJBHZET-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.12
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 16800218) has the molecular formula C16H15ClFN5 and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID16800218
Molecular FormulaC16H15ClFN5
Molecular Weight331.78 g/mol
Exact Mass331.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H15ClFN5/c1-9-7-15(20-12-4-5-14(18)13(17)8-12)21-16(19-9)23-11(3)6-10(2)22-23/h4-8H,1-3H3,(H,19,20,21)
InChIKeyLBSKGGZCJBHZET-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(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
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-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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (CID 16800218) is N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(F)c(Cl)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is LBSKGGZCJBHZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5/c1-9-7-15(20-12-4-5-14(18)13(17)8-12)21-16(19-9)23-11(3)6-10(2)22-23/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 331.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 16800218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).