2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole

C30H33ClF10N10 — CID 159233231

IUPAC2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole
SMILESCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.FC(F)(F)c1ccn[nH]1
InChIInChI=1S/C15H16F5N5.C11H14ClF2N3.C4H3F3N2/c1-9-8-12(22-10-2-5-14(16,17)6-3-10)23-13(21-9)25-7-4-11(24-25)15(18,19)20;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;5-4(6,7)3-1-2-8-9-3/h4,7-8,10H,2-3,5-6H2,1H3,(H,21,22,23);6,8H,2-5H2,1H3,(H,15,16,17);1-2H,(H,8,9)
InChIKeyKTDSETAOYQVZBF-UHFFFAOYSA-N
MW759.10 g/mol
LogP8.84
Rot. Bonds5

About 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 159233231) has the molecular formula C30H33ClF10N10 and a molecular weight of 759.10 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole
PubChem CID159233231
Molecular FormulaC30H33ClF10N10
Molecular Weight759.10 g/mol
Exact Mass758.24
IUPAC Name2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole
SMILESCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.FC(F)(F)c1ccn[nH]1
InChIInChI=1S/C15H16F5N5.C11H14ClF2N3.C4H3F3N2/c1-9-8-12(22-10-2-5-14(16,17)6-3-10)23-13(21-9)25-7-4-11(24-25)15(18,19)20;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;5-4(6,7)3-1-2-8-9-3/h4,7-8,10H,2-3,5-6H2,1H3,(H,21,22,23);6,8H,2-5H2,1H3,(H,15,16,17);1-2H,(H,8,9)
InChIKeyKTDSETAOYQVZBF-UHFFFAOYSA-N
XLogP8.84
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.10
LogP ≤ 58.84
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-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole with MolForge

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Related Compounds

4-N-(3,3-difluorocyclobutyl)-6-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidine-4,6-diamine
CID 132206618
3-[6-[(4,4-Difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 132206633
N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 132206647
N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132206653
N-(4,4-difluorocyclohexyl)-4-(3-methylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-2-amine
CID 132206707
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 132206910
N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 132207299
N-(4,4-difluorocyclohexyl)-4-(3-methylpyrazol-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
CID 132207647
6-(3,3-difluoropyrrolidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753746
1-cyclohexyl-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-2-(2,2,2-trifluoroethyl)guanidine
CID 154687310
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

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-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole (CID 159233231) is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-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-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole is Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.FC(F)(F)c1ccn[nH]1.
What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is KTDSETAOYQVZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F5N5.C11H14ClF2N3.C4H3F3N2/c1-9-8-12(22-10-2-5-14(16,17)6-3-10)23-13(21-9)25-7-4-11(24-25)15(18,19)20;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;5-4(6,7)3-1-2-8-9-3/h4,7-8,10H,2-3,5-6H2,1H3,(H,21,22,23);6,8H,2-5H2,1H3,(H,15,16,17);1-2H,(H,8,9).
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole?
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 759.10 g/mol, XLogP of 8.84, 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)-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 159233231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).