1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea

C13H13ClN4O3 — CID 18449135

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl
InChIInChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyYHZULYLGPVGRKP-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.79
Rot. Bonds4

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea

1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea (PubChem CID 18449135) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
PubChem CID18449135
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl
InChIInChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyYHZULYLGPVGRKP-UHFFFAOYSA-N
XLogP2.79
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

18-Chloro-11,12,13,14-tetrahydro-1H,10H-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one
CID 11348631
1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-YL)urea
CID 16122643
7-Chloro-8-[2-(dimethylamino)ethoxy]-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11305731
8-(3-Aminopropoxy)-7-chloro-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 16125023
3-(5-Chloro-2-methoxyphenyl)-1-(6-{[1-(dimethylamino)propan-2-yl]oxy}pyrazin-2-yl)urea
CID 16124959
1-(5-Chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
CID 3427828
1-(2,4-Dimethoxyphenyl)-3-pyrazin-2-ylurea
CID 17380652
7-Chloro-3-oxo-8-(pyridin-2-ylmethoxy)-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11155895
7-Chloro-8-(3-hydroxypropoxy)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11293798
7-Chloro-8-(2-methoxyethoxy)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11339836
7-Chloro-8-(2-hydroxyethoxy)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11430448
7-Chloro-8-[2-(2-methoxyethoxy)ethoxy]-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
CID 11443264

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea (CID 18449135) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea is COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
The InChIKey is YHZULYLGPVGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea has a molecular weight of 308.73 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 18449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).