6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

C17H18F3N3 — CID 91294249

IUPAC6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(N)nc(C(F)(F)F)nc2C2CCCC2)cc1
InChIInChI=1S/C17H18F3N3/c1-10-6-8-11(9-7-10)13-14(12-4-2-3-5-12)22-16(17(18,19)20)23-15(13)21/h6-9,12H,2-5H2,1H3,(H2,21,22,23)
InChIKeyFBGBVPHQIXPQRS-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.71
Rot. Bonds2

About 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 91294249) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID91294249
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(N)nc(C(F)(F)F)nc2C2CCCC2)cc1
InChIInChI=1S/C17H18F3N3/c1-10-6-8-11(9-7-10)13-14(12-4-2-3-5-12)22-16(17(18,19)20)23-15(13)21/h6-9,12H,2-5H2,1H3,(H2,21,22,23)
InChIKeyFBGBVPHQIXPQRS-UHFFFAOYSA-N
XLogP4.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 91294249) is 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(-c2c(N)nc(C(F)(F)F)nc2C2CCCC2)cc1.
What is the InChIKey of 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FBGBVPHQIXPQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c1-10-6-8-11(9-7-10)13-14(12-4-2-3-5-12)22-16(17(18,19)20)23-15(13)21/h6-9,12H,2-5H2,1H3,(H2,21,22,23).
What are the key properties of 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 321.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 91294249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).