(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

C18H17F3N2 — CID 134952330

IUPAC(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1ccccc1C1=NCC[C@H](c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C18H17F3N2/c1-12-4-2-3-5-15(12)17-22-11-10-16(23-17)13-6-8-14(9-7-13)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyPJINRGLYZMWVQH-MRXNPFEDSA-N
MW318.34 g/mol
LogP4.50
Rot. Bonds2

About (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 134952330) has the molecular formula C18H17F3N2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID134952330
Molecular FormulaC18H17F3N2
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1ccccc1C1=NCC[C@H](c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C18H17F3N2/c1-12-4-2-3-5-15(12)17-22-11-10-16(23-17)13-6-8-14(9-7-13)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyPJINRGLYZMWVQH-MRXNPFEDSA-N
XLogP4.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 134952330) is (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is Cc1ccccc1C1=NCC[C@H](c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is PJINRGLYZMWVQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17F3N2/c1-12-4-2-3-5-15(12)17-22-11-10-16(23-17)13-6-8-14(9-7-13)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
(6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 318.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 134952330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).