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

C16H22FN5 — CID 166632774

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCC(F)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H22FN5/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/h8-9,13-14H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyMGRQRDPJVVKWSJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.28
Rot. Bonds3

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

2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 166632774) has the molecular formula C16H22FN5 and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID166632774
Molecular FormulaC16H22FN5
Molecular Weight303.39 g/mol
Exact Mass303.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCC(F)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H22FN5/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/h8-9,13-14H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyMGRQRDPJVVKWSJ-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine (CID 166632774) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine is Cc1cc(NC2CCC(F)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is MGRQRDPJVVKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/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/h8-9,13-14H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 303.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 166632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).