1-(2-aminoethyl)-5-methylpyrimidin-2-one

C7H11N3O — CID 63206069

IUPAC1-(2-aminoethyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCN)c1
InChIInChI=1S/C7H11N3O/c1-6-4-9-7(11)10(5-6)3-2-8/h4-5H,2-3,8H2,1H3
InChIKeyCDUBJTLSSYNQGI-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.49
Rot. Bonds2

About 1-(2-aminoethyl)-5-methylpyrimidin-2-one

1-(2-aminoethyl)-5-methylpyrimidin-2-one (PubChem CID 63206069) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-methylpyrimidin-2-one
PubChem CID63206069
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(2-aminoethyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCN)c1
InChIInChI=1S/C7H11N3O/c1-6-4-9-7(11)10(5-6)3-2-8/h4-5H,2-3,8H2,1H3
InChIKeyCDUBJTLSSYNQGI-UHFFFAOYSA-N
XLogP-0.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoethyl)-5-methylpyrimidin-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 1-(2-aminoethyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5-methylpyrimidin-2-one (CID 63206069) is 1-(2-aminoethyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-5-methylpyrimidin-2-one?
The InChIKey is CDUBJTLSSYNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-4-9-7(11)10(5-6)3-2-8/h4-5H,2-3,8H2,1H3.
What are the key properties of 1-(2-aminoethyl)-5-methylpyrimidin-2-one?
1-(2-aminoethyl)-5-methylpyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).