1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea

C15H16ClN3O2 — CID 971831

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C15H16ClN3O2/c1-9-6-10(2)17-14(7-9)19-15(20)18-12-8-11(16)4-5-13(12)21-3/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeySPAFTBJMHGDMHV-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.00
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea (PubChem CID 971831) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
PubChem CID971831
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C15H16ClN3O2/c1-9-6-10(2)17-14(7-9)19-15(20)18-12-8-11(16)4-5-13(12)21-3/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeySPAFTBJMHGDMHV-UHFFFAOYSA-N
XLogP4.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4,6-dimethyl-2-pyridinyl)-2-methoxybenzamide
CID 868750
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea
CID 52945092
1-(5-chloro-2-methoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 50753216
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 121086658

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea (CID 971831) is 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea is COc1ccc(Cl)cc1NC(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea?
The InChIKey is SPAFTBJMHGDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-6-10(2)17-14(7-9)19-15(20)18-12-8-11(16)4-5-13(12)21-3/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea has a molecular weight of 305.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea is sourced from PubChem (CID 971831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).