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

C16H22FN5O — CID 139319885

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H22FN5O/c1-10-8-11(2)22(21-10)16-19-14(9-15(20-16)23-3)18-13-6-4-12(17)5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyQSEUIVWPEYSMDT-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.98
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine (PubChem CID 139319885) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine
PubChem CID139319885
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H22FN5O/c1-10-8-11(2)22(21-10)16-19-14(9-15(20-16)23-3)18-13-6-4-12(17)5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyQSEUIVWPEYSMDT-UHFFFAOYSA-N
XLogP2.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.98
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-fluorocyclohexyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine (CID 139319885) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine is COc1cc(NC2CCC(F)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine?
The InChIKey is QSEUIVWPEYSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-10-8-11(2)22(21-10)16-19-14(9-15(20-16)23-3)18-13-6-4-12(17)5-7-13/h8-9,12-13H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methoxypyrimidin-4-amine has a molecular weight of 319.38 g/mol, XLogP of 2.98, 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-fluorocyclohexyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 139319885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).