1,2-Dihydropyrimidin-2-ylmethanamine

Name: 1,2-Dihydropyrimidin-2-ylmethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₉N₃ — CID 118177714

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1,2-Dihydropyrimidin-2-ylmethanamine
PubChem CID	118177714
Molecular Formula	C₅H₉N₃
Molecular Weight	111.15 g/mol
Exact Mass	111.08
IUPAC Name	1,2-dihydropyrimidin-2-ylmethanamine
SMILES	NCC1N=CC=CN1
InChI	InChI=1S/C5H9N3/c6-4-5-7-2-1-3-8-5/h1-3,5,7H,4,6H2
InChIKey	CHHORUWYNLBOBB-UHFFFAOYSA-N
XLogP	-0.54
TPSA	50.41 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	8
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.15
LogP ≤ 5	-0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118177714 — identifiers, structure, computed properties (public domain)

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