N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine

C12H15N3O — CID 62746211

IUPACN-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2ccco2)n1
InChIInChI=1S/C12H15N3O/c1-3-13-8-10-7-9(2)14-12(15-10)11-5-4-6-16-11/h4-7,13H,3,8H2,1-2H3
InChIKeyXPBOXWFWQYIOKR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.15
Rot. Bonds4

About N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine

N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 62746211) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
PubChem CID62746211
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2ccco2)n1
InChIInChI=1S/C12H15N3O/c1-3-13-8-10-7-9(2)14-12(15-10)11-5-4-6-16-11/h4-7,13H,3,8H2,1-2H3
InChIKeyXPBOXWFWQYIOKR-UHFFFAOYSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine 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 N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine (CID 62746211) is N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(-c2ccco2)n1.
What is the InChIKey of N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is XPBOXWFWQYIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-13-8-10-7-9(2)14-12(15-10)11-5-4-6-16-11/h4-7,13H,3,8H2,1-2H3.
What are the key properties of N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62746211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).