2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine

C34H43ClF4N10 — CID 158965312

IUPAC2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H21F2N5.C11H14ClF2N3.C6H8N2/c1-11-10-15(21-13-4-7-17(18,19)8-5-13)22-16(20-11)24-9-6-14(23-24)12-2-3-12;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-2-5(1)6-3-4-7-8-6/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,20,21,22);6,8H,2-5H2,1H3,(H,15,16,17);3-5H,1-2H2,(H,7,8)
InChIKeyJNCXHQBBVBOGRS-UHFFFAOYSA-N
MW703.23 g/mol
LogP8.55
Rot. Bonds7

About 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 158965312) has the molecular formula C34H43ClF4N10 and a molecular weight of 703.23 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID158965312
Molecular FormulaC34H43ClF4N10
Molecular Weight703.23 g/mol
Exact Mass702.33
IUPAC Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H21F2N5.C11H14ClF2N3.C6H8N2/c1-11-10-15(21-13-4-7-17(18,19)8-5-13)22-16(20-11)24-9-6-14(23-24)12-2-3-12;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-2-5(1)6-3-4-7-8-6/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,20,21,22);6,8H,2-5H2,1H3,(H,15,16,17);3-5H,1-2H2,(H,7,8)
InChIKeyJNCXHQBBVBOGRS-UHFFFAOYSA-N
XLogP8.55
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.23
LogP ≤ 58.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine with MolForge

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Related Compounds

2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 132206635
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-ethylpyrimidin-4-amine
CID 132206771
6-cyclopropyl-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 132207060
6-cyclopropyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 145745760
4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 155152146
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
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carbonitrile;1H-pyrazole-5-carbonitrile
CID 157796891
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine
CID 158176652
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
CID 158619119
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-ethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;5-ethyl-1H-pyrazole
CID 158723206
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 158844064
4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 159078630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine (CID 158965312) is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine is Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.c1cc(C2CC2)[nH]n1.
What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is JNCXHQBBVBOGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5.C11H14ClF2N3.C6H8N2/c1-11-10-15(21-13-4-7-17(18,19)8-5-13)22-16(20-11)24-9-6-14(23-24)12-2-3-12;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-2-5(1)6-3-4-7-8-6/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,20,21,22);6,8H,2-5H2,1H3,(H,15,16,17);3-5H,1-2H2,(H,7,8).
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 703.23 g/mol, XLogP of 8.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 158965312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).