6-(2-aminoethyl)-1H-pyrimidin-2-one

C6H9N3O — CID 82593993

IUPAC6-(2-aminoethyl)-1H-pyrimidin-2-one
SMILESNCCc1ccnc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c7-3-1-5-2-4-8-6(10)9-5/h2,4H,1,3,7H2,(H,8,9,10)
InChIKeyTWOIVVCRUURYCJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.73
Rot. Bonds2

About 6-(2-aminoethyl)-1H-pyrimidin-2-one

6-(2-aminoethyl)-1H-pyrimidin-2-one (PubChem CID 82593993) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1H-pyrimidin-2-one
PubChem CID82593993
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-(2-aminoethyl)-1H-pyrimidin-2-one
SMILESNCCc1ccnc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c7-3-1-5-2-4-8-6(10)9-5/h2,4H,1,3,7H2,(H,8,9,10)
InChIKeyTWOIVVCRUURYCJ-UHFFFAOYSA-N
XLogP-0.73
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(2-aminoethyl)-1H-pyrimidin-2-one 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-(2-aminoethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminoethyl)-1H-pyrimidin-2-one (CID 82593993) is 6-(2-aminoethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-1H-pyrimidin-2-one is NCCc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-1H-pyrimidin-2-one?
The InChIKey is TWOIVVCRUURYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-3-1-5-2-4-8-6(10)9-5/h2,4H,1,3,7H2,(H,8,9,10).
What are the key properties of 6-(2-aminoethyl)-1H-pyrimidin-2-one?
6-(2-aminoethyl)-1H-pyrimidin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82593993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).