1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

C8H12N4O2 — CID 135679882

IUPAC1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c1-3-9-8(14)12-7-10-5(2)4-6(13)11-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13,14)
InChIKeyNRVILASIDYBFOY-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.22
Rot. Bonds2

About 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea

1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 135679882) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID135679882
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c1-3-9-8(14)12-7-10-5(2)4-6(13)11-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13,14)
InChIKeyNRVILASIDYBFOY-UHFFFAOYSA-N
XLogP0.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea 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-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 135679882) is 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is CCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is NRVILASIDYBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-9-8(14)12-7-10-5(2)4-6(13)11-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13,14).
What are the key properties of 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea?
1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 196.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 135679882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).