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

C18H20F3N3 — CID 46238981

IUPACN-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C18H20F3N3/c1-12-2-8-16(9-3-12)24-17-22-10-14(11-23-17)13-4-6-15(7-5-13)18(19,20)21/h4-7,10-12,16H,2-3,8-9H2,1H3,(H,22,23,24)
InChIKeyZAKSVAGGZDPSQA-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.15
Rot. Bonds3

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

N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 46238981) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID46238981
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C18H20F3N3/c1-12-2-8-16(9-3-12)24-17-22-10-14(11-23-17)13-4-6-15(7-5-13)18(19,20)21/h4-7,10-12,16H,2-3,8-9H2,1H3,(H,22,23,24)
InChIKeyZAKSVAGGZDPSQA-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 46238981) is N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CC1CCC(Nc2ncc(-c3ccc(C(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is ZAKSVAGGZDPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c1-12-2-8-16(9-3-12)24-17-22-10-14(11-23-17)13-4-6-15(7-5-13)18(19,20)21/h4-7,10-12,16H,2-3,8-9H2,1H3,(H,22,23,24).
What are the key properties of N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 46238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).