1-(2-methylphenyl)-3-pyrimidin-2-ylurea

C12H12N4O — CID 6477188

IUPAC1-(2-methylphenyl)-3-pyrimidin-2-ylurea
SMILESCc1ccccc1NC(=O)Nc1ncccn1
InChIInChI=1S/C12H12N4O/c1-9-5-2-3-6-10(9)15-12(17)16-11-13-7-4-8-14-11/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKeySRHICACBHNQCCA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.43
Rot. Bonds2

About 1-(2-methylphenyl)-3-pyrimidin-2-ylurea

1-(2-methylphenyl)-3-pyrimidin-2-ylurea (PubChem CID 6477188) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-pyrimidin-2-ylurea
PubChem CID6477188
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name1-(2-methylphenyl)-3-pyrimidin-2-ylurea
SMILESCc1ccccc1NC(=O)Nc1ncccn1
InChIInChI=1S/C12H12N4O/c1-9-5-2-3-6-10(9)15-12(17)16-11-13-7-4-8-14-11/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKeySRHICACBHNQCCA-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
CID 44996588
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-[2-(dimethylamino)pyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 71790087
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668
2-methyl-6-(1,2,4-triazin-3-ylcarbamoylamino)benzoic acid
CID 114388690
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
pyridin-2-yl N-(2-methylphenyl)carbamate
CID 5062913

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(2-methylphenyl)-3-pyrimidin-2-ylurea (CID 6477188) is 1-(2-methylphenyl)-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(2-methylphenyl)-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(2-methylphenyl)-3-pyrimidin-2-ylurea is Cc1ccccc1NC(=O)Nc1ncccn1.
What is the InChIKey of 1-(2-methylphenyl)-3-pyrimidin-2-ylurea?
The InChIKey is SRHICACBHNQCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-5-2-3-6-10(9)15-12(17)16-11-13-7-4-8-14-11/h2-8H,1H3,(H2,13,14,15,16,17).
What are the key properties of 1-(2-methylphenyl)-3-pyrimidin-2-ylurea?
1-(2-methylphenyl)-3-pyrimidin-2-ylurea has a molecular weight of 228.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-pyrimidin-2-ylurea is sourced from PubChem (CID 6477188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).