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

C16H16ClN5 — CID 1398305

IUPACN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H16ClN5/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h4-9H,1-3H3,(H,18,19,20)
InChIKeyQDPHGNZXTLUNFC-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.98
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 1398305) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID1398305
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC NameN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H16ClN5/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h4-9H,1-3H3,(H,18,19,20)
InChIKeyQDPHGNZXTLUNFC-UHFFFAOYSA-N
XLogP3.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (CID 1398305) is N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(Cl)cc2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is QDPHGNZXTLUNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 1398305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).