1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea

C12H11ClN4O2 — CID 3427828

IUPAC1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H11ClN4O2/c1-19-10-3-2-8(13)6-9(10)16-12(18)17-11-7-14-4-5-15-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyHLEZAEWHAQFDAK-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea

1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea (PubChem CID 3427828) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
PubChem CID3427828
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H11ClN4O2/c1-19-10-3-2-8(13)6-9(10)16-12(18)17-11-7-14-4-5-15-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyHLEZAEWHAQFDAK-UHFFFAOYSA-N
XLogP2.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(5-Chloro-2-methoxyphenyl)-1-(6-{[1-(dimethylamino)propan-2-yl]oxy}pyrazin-2-yl)urea
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N-(5-Chloro-2,4-dimethoxyphenyl)-N'-pyrazin-2-ylurea
CID 18449135
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CID 5311778
1-(4-Methoxyphenyl)-3-pyrazin-2-ylurea
CID 6466040
1-(2,4-Dimethoxyphenyl)-3-pyrazin-2-ylurea
CID 17380652
XL844
CID 10016910
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea (CID 3427828) is 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea is COc1ccc(Cl)cc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea?
The InChIKey is HLEZAEWHAQFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-19-10-3-2-8(13)6-9(10)16-12(18)17-11-7-14-4-5-15-11/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea?
1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea has a molecular weight of 278.70 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 3427828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).