6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C16H15N3O2 — CID 46906907

IUPAC6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(-c3ccco3)ncn2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-13-6-4-12(5-7-13)10-17-16-9-14(18-11-19-16)15-3-2-8-21-15/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyFBXIJMWVSDNNRT-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.36
Rot. Bonds5

About 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 46906907) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID46906907
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(-c3ccco3)ncn2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-13-6-4-12(5-7-13)10-17-16-9-14(18-11-19-16)15-3-2-8-21-15/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyFBXIJMWVSDNNRT-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-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 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 46906907) is 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2cc(-c3ccco3)ncn2)cc1.
What is the InChIKey of 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is FBXIJMWVSDNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-13-6-4-12(5-7-13)10-17-16-9-14(18-11-19-16)15-3-2-8-21-15/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 46906907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).