1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea

C7H12N4O2 — CID 91237236

IUPAC1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea
SMILESCNC(=O)NC1=NC(O)CC(C)=N1
InChIInChI=1S/C7H12N4O2/c1-4-3-5(12)10-6(9-4)11-7(13)8-2/h5,12H,3H2,1-2H3,(H2,8,10,11,13)
InChIKeyHTOVOLBWYKZVBP-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.55
Rot. Bonds

About 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea

1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea (PubChem CID 91237236) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea
PubChem CID91237236
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea
SMILESCNC(=O)NC1=NC(O)CC(C)=N1
InChIInChI=1S/C7H12N4O2/c1-4-3-5(12)10-6(9-4)11-7(13)8-2/h5,12H,3H2,1-2H3,(H2,8,10,11,13)
InChIKeyHTOVOLBWYKZVBP-UHFFFAOYSA-N
XLogP-0.55
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea 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-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea?
The IUPAC name of 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea (CID 91237236) is 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea.
What is the SMILES notation for 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea?
The canonical SMILES for 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea is CNC(=O)NC1=NC(O)CC(C)=N1.
What is the InChIKey of 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea?
The InChIKey is HTOVOLBWYKZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4-3-5(12)10-6(9-4)11-7(13)8-2/h5,12H,3H2,1-2H3,(H2,8,10,11,13).
What are the key properties of 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea?
1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea has a molecular weight of 184.20 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-6-methyl-4,5-dihydropyrimidin-2-yl)-3-methylurea is sourced from PubChem (CID 91237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).