1-methyl-3-(5-methylpyrimidin-2-yl)urea

C7H10N4O — CID 70667568

IUPAC1-methyl-3-(5-methylpyrimidin-2-yl)urea
SMILESCNC(=O)Nc1ncc(C)cn1
InChIInChI=1S/C7H10N4O/c1-5-3-9-6(10-4-5)11-7(12)8-2/h3-4H,1-2H3,(H2,8,9,10,11,12)
InChIKeyZKZKGTMLSMZXLM-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds1

About 1-methyl-3-(5-methylpyrimidin-2-yl)urea

1-methyl-3-(5-methylpyrimidin-2-yl)urea (PubChem CID 70667568) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-methyl-3-(5-methylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(5-methylpyrimidin-2-yl)urea
PubChem CID70667568
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-methyl-3-(5-methylpyrimidin-2-yl)urea
SMILESCNC(=O)Nc1ncc(C)cn1
InChIInChI=1S/C7H10N4O/c1-5-3-9-6(10-4-5)11-7(12)8-2/h3-4H,1-2H3,(H2,8,9,10,11,12)
InChIKeyZKZKGTMLSMZXLM-UHFFFAOYSA-N
XLogP0.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
CID 167977680
1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea
CID 20827630
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
CID 177139787
heptane;methyl N-(5-methylpyrimidin-2-yl)carbamate
CID 143703085
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine
CID 143713847
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
2,2,3-trimethyl-3-[(5-methylpyrimidin-2-yl)amino]butanoic acid
CID 65265850
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylpyrimidin-2-yl)urea?
The IUPAC name of 1-methyl-3-(5-methylpyrimidin-2-yl)urea (CID 70667568) is 1-methyl-3-(5-methylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(5-methylpyrimidin-2-yl)urea?
The canonical SMILES for 1-methyl-3-(5-methylpyrimidin-2-yl)urea is CNC(=O)Nc1ncc(C)cn1.
What is the InChIKey of 1-methyl-3-(5-methylpyrimidin-2-yl)urea?
The InChIKey is ZKZKGTMLSMZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-3-9-6(10-4-5)11-7(12)8-2/h3-4H,1-2H3,(H2,8,9,10,11,12).
What are the key properties of 1-methyl-3-(5-methylpyrimidin-2-yl)urea?
1-methyl-3-(5-methylpyrimidin-2-yl)urea has a molecular weight of 166.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylpyrimidin-2-yl)urea is sourced from PubChem (CID 70667568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).