2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C16H15N3O2 — CID 3234792

IUPAC2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccoc2)n1
InChIInChI=1S/C16H15N3O2/c1-20-14-5-3-2-4-12(14)10-18-15-6-8-17-16(19-15)13-7-9-21-11-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyWPTWWDOXOVKZFO-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.36
Rot. Bonds5

About 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3234792) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3234792
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccoc2)n1
InChIInChI=1S/C16H15N3O2/c1-20-14-5-3-2-4-12(14)10-18-15-6-8-17-16(19-15)13-7-9-21-11-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyWPTWWDOXOVKZFO-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 2-(furan-3-yl)-N-[(2-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 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3234792) is 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ccnc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is WPTWWDOXOVKZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-5-3-2-4-12(14)10-18-15-6-8-17-16(19-15)13-7-9-21-11-13/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
2-(furan-3-yl)-N-[(2-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 2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3234792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).