1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea

C14H15ClN4O2 — CID 142715595

IUPAC1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nccnc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O2/c1-2-16-14(20)19-12-13(18-7-6-17-12)21-9-10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H2,16,17,19,20)
InChIKeyJZZCHMGGDVSQAK-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea

1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea (PubChem CID 142715595) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea
PubChem CID142715595
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nccnc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O2/c1-2-16-14(20)19-12-13(18-7-6-17-12)21-9-10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H2,16,17,19,20)
InChIKeyJZZCHMGGDVSQAK-UHFFFAOYSA-N
XLogP2.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea?
The IUPAC name of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea (CID 142715595) is 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea is CCNC(=O)Nc1nccnc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea?
The InChIKey is JZZCHMGGDVSQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-2-16-14(20)19-12-13(18-7-6-17-12)21-9-10-4-3-5-11(15)8-10/h3-8H,2,9H2,1H3,(H2,16,17,19,20).
What are the key properties of 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea?
1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea has a molecular weight of 306.75 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-3-ethylurea is sourced from PubChem (CID 142715595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).