2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole

C34H47ClF4N10 — CID 159473689

IUPAC2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(C)C)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C17H23F2N5.C11H14ClF2N3.C6H10N2/c1-11(2)14-6-9-24(23-14)16-20-12(3)10-15(22-16)21-13-4-7-17(18,19)8-5-13;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-5(2)6-3-4-7-8-6/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,21,22);6,8H,2-5H2,1H3,(H,15,16,17);3-5H,1-2H3,(H,7,8)
InChIKeyLWCNTSCQDKKMEH-UHFFFAOYSA-N
MW707.27 g/mol
LogP9.05
Rot. Bonds7

About 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole (PubChem CID 159473689) has the molecular formula C34H47ClF4N10 and a molecular weight of 707.27 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole
PubChem CID159473689
Molecular FormulaC34H47ClF4N10
Molecular Weight707.27 g/mol
Exact Mass706.36
IUPAC Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(C)C)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C17H23F2N5.C11H14ClF2N3.C6H10N2/c1-11(2)14-6-9-24(23-14)16-20-12(3)10-15(22-16)21-13-4-7-17(18,19)8-5-13;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-5(2)6-3-4-7-8-6/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,21,22);6,8H,2-5H2,1H3,(H,15,16,17);3-5H,1-2H3,(H,7,8)
InChIKeyLWCNTSCQDKKMEH-UHFFFAOYSA-N
XLogP9.05
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.27
LogP ≤ 59.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-N-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 87598659
6-chloro-2-N-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-4-N-[2-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 87598660
6-chloro-4-N-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 90729267
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 132206635
N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
CID 132206655
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-ethylpyrimidin-4-amine
CID 132206771
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
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole?
The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole (CID 159473689) is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole is CC(C)c1ccn[nH]1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(C)C)n2)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)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole?
The InChIKey is LWCNTSCQDKKMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5.C11H14ClF2N3.C6H10N2/c1-11(2)14-6-9-24(23-14)16-20-12(3)10-15(22-16)21-13-4-7-17(18,19)8-5-13;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-5(2)6-3-4-7-8-6/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,20,21,22);6,8H,2-5H2,1H3,(H,15,16,17);3-5H,1-2H3,(H,7,8).
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole?
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole has a molecular weight of 707.27 g/mol, XLogP of 9.05, 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)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 159473689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).