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

C32H43ClF4N10 — CID 158619119

IUPAC2-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
SMILESCc1cc(C)[nH]n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C16H21F2N5.C11H14ClF2N3.C5H8N2/c1-10-9-14(20-13-4-6-16(17,18)7-5-13)21-15(19-10)23-12(3)8-11(2)22-23;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-4-3-5(2)7-6-4/h8-9,13H,4-7H2,1-3H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);3H,1-2H3,(H,6,7)
InChIKeyHXTSOJBSBWUYJI-UHFFFAOYSA-N
MW679.21 g/mol
LogP8.03
Rot. Bonds5

About 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

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 (PubChem CID 158619119) 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-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name2-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
PubChem CID158619119
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-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
SMILESCc1cc(C)[nH]n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C16H21F2N5.C11H14ClF2N3.C5H8N2/c1-10-9-14(20-13-4-6-16(17,18)7-5-13)21-15(19-10)23-12(3)8-11(2)22-23;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-4-3-5(2)7-6-4/h8-9,13H,4-7H2,1-3H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);3H,1-2H3,(H,6,7)
InChIKeyHXTSOJBSBWUYJI-UHFFFAOYSA-N
XLogP8.03
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.21
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(4,4-difluorocyclohexyl)-4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
CID 132206708
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 132206920
N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132206937
N-(4,4-difluorocyclohexyl)-6-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132207251
6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132207501
6-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132207690
6-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;hydrochloride
CID 139300045
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-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)[nH]n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.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-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
The InChIKey is HXTSOJBSBWUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5.C11H14ClF2N3.C5H8N2/c1-10-9-14(20-13-4-6-16(17,18)7-5-13)21-15(19-10)23-12(3)8-11(2)22-23;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-4-3-5(2)7-6-4/h8-9,13H,4-7H2,1-3H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);3H,1-2H3,(H,6,7).
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
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 has a molecular weight of 679.21 g/mol, XLogP of 8.03, 5 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-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 158619119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).