cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine

C37H44F6N6O2S — CID 157297188

IUPACcyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCC2)n1.Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(S(C)(=O)=O)n1.NC1CCCCC1
InChIInChI=1S/C18H20F3N3.C13H11F3N2O2S.C6H13N/c1-12-22-11-16(13-7-9-14(10-8-13)18(19,20)21)17(23-12)24-15-5-3-2-4-6-15;1-8-17-7-11(12(18-8)21(2,19)20)9-3-5-10(6-4-9)13(14,15)16;7-6-4-2-1-3-5-6/h7-11,15H,2-6H2,1H3,(H,22,23,24);3-7H,1-2H3;6H,1-5,7H2
InChIKeyBBMCEIXCKCYEHC-UHFFFAOYSA-N
MW750.85 g/mol
LogP9.37
Rot. Bonds5

About cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine

cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 157297188) has the molecular formula C37H44F6N6O2S and a molecular weight of 750.85 g/mol. Its IUPAC name is cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Namecyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID157297188
Molecular FormulaC37H44F6N6O2S
Molecular Weight750.85 g/mol
Exact Mass750.32
IUPAC Namecyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCC2)n1.Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(S(C)(=O)=O)n1.NC1CCCCC1
InChIInChI=1S/C18H20F3N3.C13H11F3N2O2S.C6H13N/c1-12-22-11-16(13-7-9-14(10-8-13)18(19,20)21)17(23-12)24-15-5-3-2-4-6-15;1-8-17-7-11(12(18-8)21(2,19)20)9-3-5-10(6-4-9)13(14,15)16;7-6-4-2-1-3-5-6/h7-11,15H,2-6H2,1H3,(H,22,23,24);3-7H,1-2H3;6H,1-5,7H2
InChIKeyBBMCEIXCKCYEHC-UHFFFAOYSA-N
XLogP9.37
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.85
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2,4-bis(trifluoromethyl)phenyl]-N-cyclopentyl-2-methylpyrimidin-4-amine
CID 59405039
N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
CID 59405085
4-(cycloheptylamino)-N-[3-(dimethylamino)propyl]-5-[4-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide
CID 155809700
6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
CID 161461653
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
N-cyclopentyl-5-[4-(diethylaminodiazenyl)phenyl]-2-methylpyrimidin-4-amine;N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
CID 158042772
5-(4-aminophenyl)-N-cyclopentyl-2-methylpyrimidin-4-amine;6-chloro-N-cyclopentyl-2-methyl-5-(4-nitrophenyl)pyrimidin-4-amine
CID 160793666
4-[1-[4-(cycloheptylamino)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]triazol-4-yl]butanenitrile
CID 155809697
4-(cycloheptylamino)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 155806535
N-cyclopentyl-2,6-dimethyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 162582644
4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 71738340
5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 89493822

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine (CID 157297188) is cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine is Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCC2)n1.Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(S(C)(=O)=O)n1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is BBMCEIXCKCYEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3.C13H11F3N2O2S.C6H13N/c1-12-22-11-16(13-7-9-14(10-8-13)18(19,20)21)17(23-12)24-15-5-3-2-4-6-15;1-8-17-7-11(12(18-8)21(2,19)20)9-3-5-10(6-4-9)13(14,15)16;7-6-4-2-1-3-5-6/h7-11,15H,2-6H2,1H3,(H,22,23,24);3-7H,1-2H3;6H,1-5,7H2.
What are the key properties of cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine?
cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 750.85 g/mol, XLogP of 9.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 157297188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).