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

C37H42Br2Cl2F9N11 — CID 157239743

IUPAC5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)c1Br.Cc1nc(NC2CCC(F)(F)CC2)nc(Cl)c1Br
InChIInChI=1S/C15H15BrF5N5.C11H13BrClF2N3.C11H14ClF2N3/c1-8-11(16)12(26-7-4-10(25-26)15(19,20)21)24-13(22-8)23-9-2-5-14(17,18)6-3-9;1-6-8(12)9(13)18-10(16-6)17-7-2-4-11(14,15)5-3-7;1-7-6-9(12)17-10(15-7)16-8-2-4-11(13,14)5-3-8/h4,7,9H,2-3,5-6H2,1H3,(H,22,23,24);7H,2-5H2,1H3,(H,16,17,18);6,8H,2-5H2,1H3,(H,15,16,17)
InChIKeyAVBIRPSAHOMAQS-UHFFFAOYSA-N
MW1042.52 g/mol
LogP12.36
Rot. Bonds7

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

5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine (PubChem CID 157239743) has the molecular formula C37H42Br2Cl2F9N11 and a molecular weight of 1042.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine
PubChem CID157239743
Molecular FormulaC37H42Br2Cl2F9N11
Molecular Weight1042.52 g/mol
Exact Mass1039.12
IUPAC Name5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)c1Br.Cc1nc(NC2CCC(F)(F)CC2)nc(Cl)c1Br
InChIInChI=1S/C15H15BrF5N5.C11H13BrClF2N3.C11H14ClF2N3/c1-8-11(16)12(26-7-4-10(25-26)15(19,20)21)24-13(22-8)23-9-2-5-14(17,18)6-3-9;1-6-8(12)9(13)18-10(16-6)17-7-2-4-11(14,15)5-3-7;1-7-6-9(12)17-10(15-7)16-8-2-4-11(13,14)5-3-8/h4,7,9H,2-3,5-6H2,1H3,(H,22,23,24);7H,2-5H2,1H3,(H,16,17,18);6,8H,2-5H2,1H3,(H,15,16,17)
InChIKeyAVBIRPSAHOMAQS-UHFFFAOYSA-N
XLogP12.36
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001042.52
LogP ≤ 512.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine with MolForge

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Related Compounds

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-6-N-(2,2-dimethylpropyl)-2-(3-methylpyrazol-1-yl)pyrimidine-4,6-diamine;2,2-dimethylpropan-1-amine
CID 160176350
2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole
CID 160777979
4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-methyl-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;5-methyl-1H-pyrazole
CID 161505639
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;3,3-difluorocyclobutan-1-amine;4-N-(3,3-difluorocyclobutyl)-6-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidine-4,6-diamine
CID 162257901
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine
CID 167712782

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine (CID 157239743) is 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine is Cc1cc(Cl)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)c1Br.Cc1nc(NC2CCC(F)(F)CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine?
The InChIKey is AVBIRPSAHOMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF5N5.C11H13BrClF2N3.C11H14ClF2N3/c1-8-11(16)12(26-7-4-10(25-26)15(19,20)21)24-13(22-8)23-9-2-5-14(17,18)6-3-9;1-6-8(12)9(13)18-10(16-6)17-7-2-4-11(14,15)5-3-7;1-7-6-9(12)17-10(15-7)16-8-2-4-11(13,14)5-3-8/h4,7,9H,2-3,5-6H2,1H3,(H,22,23,24);7H,2-5H2,1H3,(H,16,17,18);6,8H,2-5H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine?
5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine has a molecular weight of 1042.52 g/mol, XLogP of 12.36, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 157239743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).