1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea

C24H19ClN4O2 — CID 18981970

IUPAC1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C24H19ClN4O2/c1-31-21-14-8-7-13-19(21)27-24(30)28-20-15-26-23(16-9-3-2-4-10-16)29-22(20)17-11-5-6-12-18(17)25/h2-15H,1H3,(H2,27,28,30)
InChIKeyDZRNHFJSCYBKCC-UHFFFAOYSA-N
MW430.90 g/mol
LogP6.12
Rot. Bonds5

About 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea

1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea (PubChem CID 18981970) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea
PubChem CID18981970
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C24H19ClN4O2/c1-31-21-14-8-7-13-19(21)27-24(30)28-20-15-26-23(16-9-3-2-4-10-16)29-22(20)17-11-5-6-12-18(17)25/h2-15H,1H3,(H2,27,28,30)
InChIKeyDZRNHFJSCYBKCC-UHFFFAOYSA-N
XLogP6.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-methoxyphenyl)urea
CID 41143360
1-[4-(3-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 18981986
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea
CID 123729233
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-phenylsulfanylpyrimidine-4-carboxamide
CID 26835317
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea (CID 18981970) is 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is DZRNHFJSCYBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-31-21-14-8-7-13-19(21)27-24(30)28-20-15-26-23(16-9-3-2-4-10-16)29-22(20)17-11-5-6-12-18(17)25/h2-15H,1H3,(H2,27,28,30).
What are the key properties of 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea?
1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 430.90 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 18981970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).