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

C32H43ClF4N10 — CID 158723206

IUPAC2-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
SMILESCCc1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.CCc1ccn[nH]1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C16H21F2N5.C11H14ClF2N3.C5H8N2/c1-3-12-6-9-23(22-12)15-19-11(2)10-14(21-15)20-13-4-7-16(17,18)8-5-13;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-2-5-3-4-6-7-5/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);3-4H,2H2,1H3,(H,6,7)
InChIKeyIKEDZWQYPATGTM-UHFFFAOYSA-N
MW679.21 g/mol
LogP7.92
Rot. Bonds7

About 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

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 (PubChem CID 158723206) has the molecular formula C32H43ClF4N10 and a molecular weight of 679.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158723206
Molecular FormulaC32H43ClF4N10
Molecular Weight679.21 g/mol
Exact Mass678.33
IUPAC Name2-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
SMILESCCc1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.CCc1ccn[nH]1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C16H21F2N5.C11H14ClF2N3.C5H8N2/c1-3-12-6-9-23(22-12)15-19-11(2)10-14(21-15)20-13-4-7-16(17,18)8-5-13;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-2-5-3-4-6-7-5/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);3-4H,2H2,1H3,(H,6,7)
InChIKeyIKEDZWQYPATGTM-UHFFFAOYSA-N
XLogP7.92
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.21
LogP ≤ 57.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-(4,4-difluorocyclohexyl)-6-(1,1-difluoroethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206793
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 132206910
N-(4,4-difluorocyclohexyl)-2-(3-ethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 132206931
N-(4,4-difluorocyclohexyl)-6-(1-fluoroethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132207442
N-(4,4-difluorocyclohexyl)-2-[3-(1-fluoroethyl)pyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132207750
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
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine
CID 157087858
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
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
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole
CID 158759879
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.CCc1ccn[nH]1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.
What is the InChIKey of 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?
The InChIKey is IKEDZWQYPATGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5.C11H14ClF2N3.C5H8N2/c1-3-12-6-9-23(22-12)15-19-11(2)10-14(21-15)20-13-4-7-16(17,18)8-5-13;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-2-5-3-4-6-7-5/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);3-4H,2H2,1H3,(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 679.21 g/mol, XLogP of 7.92, 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;N-(4,4-difluorocyclohexyl)-2-(3-ethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;5-ethyl-1H-pyrazole is sourced from PubChem (CID 158723206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).