5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

C8H13N3O — CID 84652723

IUPAC5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CNC)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-3-6-4-10-7(5-9-2)11-8(6)12/h4,9H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyRTTXMPVPENQKOG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.05
Rot. Bonds3

About 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 84652723) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID84652723
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(CNC)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-3-6-4-10-7(5-9-2)11-8(6)12/h4,9H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyRTTXMPVPENQKOG-UHFFFAOYSA-N
XLogP0.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dimethylpyrimidin-4-ol
CID 242454
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
CID 24903858
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (CID 84652723) is 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is CCc1cnc(CNC)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is RTTXMPVPENQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-6-4-10-7(5-9-2)11-8(6)12/h4,9H,3,5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84652723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).