1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea

C17H13ClN4O — CID 135376387

IUPAC1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cncnc2)c1
InChIInChI=1S/C17H13ClN4O/c18-14-4-6-15(7-5-14)21-17(23)22-16-3-1-2-12(8-16)13-9-19-11-20-10-13/h1-11H,(H2,21,22,23)
InChIKeySKUWNZMVKURLTL-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.44
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea

1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea (PubChem CID 135376387) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea
PubChem CID135376387
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cncnc2)c1
InChIInChI=1S/C17H13ClN4O/c18-14-4-6-15(7-5-14)21-17(23)22-16-3-1-2-12(8-16)13-9-19-11-20-10-13/h1-11H,(H2,21,22,23)
InChIKeySKUWNZMVKURLTL-UHFFFAOYSA-N
XLogP4.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N'-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819603
6-Chloro-4-cyclopropyl-4-(2-pyrimidin-2-ylethynyl)-1,3-dihydroquinazolin-2-one
CID 455473
N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine
CID 44453784
2,5-Bis(4-aminophenyl)-pyrimidine
CID 652390
N-(3-Chlorophenyl)-N'-(2-pyrimidinyl)urea
CID 840362
6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
CID 455472
N-(4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 1841807
N2-(4-chlorophenyl)-N4-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 488801
4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-(pyrrolidin-1-yl)ethyl)phenyl)pyrimidin-2-amine
CID 9910872
1-(4-Chlorophenyl)-3-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)phenyl]urea
CID 11581960
2-Amino-9-chloro-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225504
1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 15941393

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea (CID 135376387) is 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cncnc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea?
The InChIKey is SKUWNZMVKURLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-4-6-15(7-5-14)21-17(23)22-16-3-1-2-12(8-16)13-9-19-11-20-10-13/h1-11H,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea?
1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea has a molecular weight of 324.77 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-pyrimidin-5-ylphenyl)urea is sourced from PubChem (CID 135376387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).