6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine

C13H14ClF2N5 — CID 139300624

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C13H14ClF2N5/c14-10-8-11(18-9-2-4-13(15,16)5-3-9)20-12(19-10)21-7-1-6-17-21/h1,6-9H,2-5H2,(H,18,19,20)
InChIKeyCGGITUNHMWZCQF-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.31
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 139300624) has the molecular formula C13H14ClF2N5 and a molecular weight of 313.74 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
PubChem CID139300624
Molecular FormulaC13H14ClF2N5
Molecular Weight313.74 g/mol
Exact Mass313.09
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C13H14ClF2N5/c14-10-8-11(18-9-2-4-13(15,16)5-3-9)20-12(19-10)21-7-1-6-17-21/h1,6-9H,2-5H2,(H,18,19,20)
InChIKeyCGGITUNHMWZCQF-UHFFFAOYSA-N
XLogP3.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;cyclopropylboronic acid;6-cyclopropyl-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 159137466
6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139300487
6-chloro-N-(4,4-difluorocyclohexyl)-2-(furan-2-yl)pyrimidin-4-amine
CID 139300555
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine
CID 160793282
6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
CID 158994617
6-chloro-N-(4,4-difluorocyclohexyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 139300814
6-chloro-2-cyclopenta-1,3-dien-1-yl-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 160712949
N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 139300508
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole
CID 157468443
N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139319894
1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-4-methylpyrazole-3-carbonyl chloride
CID 139300213
6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 139300591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine (CID 139300624) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine is FC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is CGGITUNHMWZCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N5/c14-10-8-11(18-9-2-4-13(15,16)5-3-9)20-12(19-10)21-7-1-6-17-21/h1,6-9H,2-5H2,(H,18,19,20).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 313.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 139300624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).