4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine

C16H13N3O — CID 70004554

IUPAC4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine
SMILESNc1nc(C=Cc2ccccc2)cc(-c2ccco2)n1
InChIInChI=1S/C16H13N3O/c17-16-18-13(9-8-12-5-2-1-3-6-12)11-14(19-16)15-7-4-10-20-15/h1-11H,(H2,17,18,19)
InChIKeyVWKGQHNCZCMBDQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.49
Rot. Bonds3

About 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine

4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine (PubChem CID 70004554) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine
PubChem CID70004554
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine
SMILESNc1nc(C=Cc2ccccc2)cc(-c2ccco2)n1
InChIInChI=1S/C16H13N3O/c17-16-18-13(9-8-12-5-2-1-3-6-12)11-14(19-16)15-7-4-10-20-15/h1-11H,(H2,17,18,19)
InChIKeyVWKGQHNCZCMBDQ-UHFFFAOYSA-N
XLogP3.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(furan-2-yl)-6-(2-phenylethenyl)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-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine (CID 70004554) is 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine is Nc1nc(C=Cc2ccccc2)cc(-c2ccco2)n1.
What is the InChIKey of 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine?
The InChIKey is VWKGQHNCZCMBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16-18-13(9-8-12-5-2-1-3-6-12)11-14(19-16)15-7-4-10-20-15/h1-11H,(H2,17,18,19).
What are the key properties of 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine?
4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-(2-phenylethenyl)pyrimidin-2-amine is sourced from PubChem (CID 70004554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).