N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C18H20F3N3 — CID 15603270

IUPACN-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCC2)n1
InChIInChI=1S/C18H20F3N3/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/h7-11,15H,2-6H2,1H3,(H,22,23,24)
InChIKeyBXBAGJARKQJJPT-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.22
Rot. Bonds3

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

N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 15603270) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID15603270
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCC2)n1
InChIInChI=1S/C18H20F3N3/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/h7-11,15H,2-6H2,1H3,(H,22,23,24)
InChIKeyBXBAGJARKQJJPT-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 15603270) is N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is BXBAGJARKQJJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/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/h7-11,15H,2-6H2,1H3,(H,22,23,24).
What are the key properties of N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 15603270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).