1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea

C12H11ClN4O2 — CID 70687689

IUPAC1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea
SMILESCn1ccc(=O)nc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H2,14,15,16,18,19)
InChIKeyQYAHTCVLUWYSHM-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea

1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea (PubChem CID 70687689) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea
PubChem CID70687689
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea
SMILESCn1ccc(=O)nc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H2,14,15,16,18,19)
InChIKeyQYAHTCVLUWYSHM-UHFFFAOYSA-N
XLogP2.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fenobam Anhydrous
CID 135497698
N-(3-Chlorophenyl)-N'-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)urea
CID 135659063
2-(Methylanilino)-4-pyrimidinol
CID 824717
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 4792068
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
1-(3-chlorophenyl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea
CID 44408210
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 777252

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea (CID 70687689) is 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea is Cn1ccc(=O)nc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea?
The InChIKey is QYAHTCVLUWYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-17-6-5-10(18)15-11(17)16-12(19)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H2,14,15,16,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea?
1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea has a molecular weight of 278.70 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea is sourced from PubChem (CID 70687689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).