2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine

C17H24FN5O — CID 135279658

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCC(C)(F)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H24FN5O/c1-11-9-12(2)23(22-11)16-20-14(10-15(21-16)24-4)19-13-5-7-17(3,18)8-6-13/h9-10,13H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyPMYQZFOTPMSPQE-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.37
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine (PubChem CID 135279658) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine
PubChem CID135279658
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCC(C)(F)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H24FN5O/c1-11-9-12(2)23(22-11)16-20-14(10-15(21-16)24-4)19-13-5-7-17(3,18)8-6-13/h9-10,13H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyPMYQZFOTPMSPQE-UHFFFAOYSA-N
XLogP3.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine (CID 135279658) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine is COc1cc(NC2CCC(C)(F)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine?
The InChIKey is PMYQZFOTPMSPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-11-9-12(2)23(22-11)16-20-14(10-15(21-16)24-4)19-13-5-7-17(3,18)8-6-13/h9-10,13H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine has a molecular weight of 333.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-4-methylcyclohexyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 135279658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).