1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea

C15H17ClN4O3 — CID 122302630

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
SMILESCOc1nc(C)c(NC(=O)Nc2cc(Cl)ccc2OC)c(C)n1
InChIInChI=1S/C15H17ClN4O3/c1-8-13(9(2)18-15(17-8)23-4)20-14(21)19-11-7-10(16)5-6-12(11)22-3/h5-7H,1-4H3,(H2,19,20,21)
InChIKeyHRLMWYSQKLKMIN-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.41
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea (PubChem CID 122302630) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
PubChem CID122302630
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
SMILESCOc1nc(C)c(NC(=O)Nc2cc(Cl)ccc2OC)c(C)n1
InChIInChI=1S/C15H17ClN4O3/c1-8-13(9(2)18-15(17-8)23-4)20-14(21)19-11-7-10(16)5-6-12(11)22-3/h5-7H,1-4H3,(H2,19,20,21)
InChIKeyHRLMWYSQKLKMIN-UHFFFAOYSA-N
XLogP3.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 122357104
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962
1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 971831
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-4-yl)urea
CID 52945092
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 121086658
1-(5-chloro-2-methoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 50753216
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea (CID 122302630) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea is COc1nc(C)c(NC(=O)Nc2cc(Cl)ccc2OC)c(C)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
The InChIKey is HRLMWYSQKLKMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-8-13(9(2)18-15(17-8)23-4)20-14(21)19-11-7-10(16)5-6-12(11)22-3/h5-7H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea has a molecular weight of 336.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea is sourced from PubChem (CID 122302630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).