4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine

C17H15F2N3O — CID 2985892

IUPAC4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C17H15F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h2-9,16H,10H2,1H3,(H,20,21,22)
InChIKeyJSGMNYRQZGOLNB-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.59
Rot. Bonds5

About 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine

4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 2985892) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine
PubChem CID2985892
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C17H15F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h2-9,16H,10H2,1H3,(H,20,21,22)
InChIKeyJSGMNYRQZGOLNB-UHFFFAOYSA-N
XLogP4.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine 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 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine (CID 2985892) is 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is JSGMNYRQZGOLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h2-9,16H,10H2,1H3,(H,20,21,22).
What are the key properties of 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine?
4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 315.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(furan-2-ylmethyl)-6-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 2985892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).