1,2-dihydropyrimidin-2-ylmethanamine

C5H9N3 — CID 118177714

IUPAC1,2-dihydropyrimidin-2-ylmethanamine
SMILESNCC1N=CC=CN1
InChIInChI=1S/C5H9N3/c6-4-5-7-2-1-3-8-5/h1-3,5,7H,4,6H2
InChIKeyCHHORUWYNLBOBB-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.54
Rot. Bonds1

About 1,2-dihydropyrimidin-2-ylmethanamine

1,2-dihydropyrimidin-2-ylmethanamine (PubChem CID 118177714) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,2-dihydropyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1,2-dihydropyrimidin-2-ylmethanamine
PubChem CID118177714
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,2-dihydropyrimidin-2-ylmethanamine
SMILESNCC1N=CC=CN1
InChIInChI=1S/C5H9N3/c6-4-5-7-2-1-3-8-5/h1-3,5,7H,4,6H2
InChIKeyCHHORUWYNLBOBB-UHFFFAOYSA-N
XLogP-0.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydropyrimidin-2-ylmethanamine 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 1,2-dihydropyrimidin-2-ylmethanamine?
The IUPAC name of 1,2-dihydropyrimidin-2-ylmethanamine (CID 118177714) is 1,2-dihydropyrimidin-2-ylmethanamine.
What is the SMILES notation for 1,2-dihydropyrimidin-2-ylmethanamine?
The canonical SMILES for 1,2-dihydropyrimidin-2-ylmethanamine is NCC1N=CC=CN1.
What is the InChIKey of 1,2-dihydropyrimidin-2-ylmethanamine?
The InChIKey is CHHORUWYNLBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-4-5-7-2-1-3-8-5/h1-3,5,7H,4,6H2.
What are the key properties of 1,2-dihydropyrimidin-2-ylmethanamine?
1,2-dihydropyrimidin-2-ylmethanamine has a molecular weight of 111.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimidin-2-ylmethanamine is sourced from PubChem (CID 118177714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).