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

C16H15ClFN5 — CID 166625915

IUPACN-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(F)ccc2Cl)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H15ClFN5/c1-9-7-15(20-14-8-12(18)4-5-13(14)17)21-16(19-9)23-11(3)6-10(2)22-23/h4-8H,1-3H3,(H,19,20,21)
InChIKeyRJKGYBOMYOKJJV-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.12
Rot. Bonds3

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

N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 166625915) has the molecular formula C16H15ClFN5 and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID166625915
Molecular FormulaC16H15ClFN5
Molecular Weight331.78 g/mol
Exact Mass331.10
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(F)ccc2Cl)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H15ClFN5/c1-9-7-15(20-14-8-12(18)4-5-13(14)17)21-16(19-9)23-11(3)6-10(2)22-23/h4-8H,1-3H3,(H,19,20,21)
InChIKeyRJKGYBOMYOKJJV-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (CID 166625915) is N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2cc(F)ccc2Cl)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is RJKGYBOMYOKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5/c1-9-7-15(20-14-8-12(18)4-5-13(14)17)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-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
N-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 166625915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).