1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea

C13H14N4O2 — CID 6466621

IUPAC1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cnccn1
InChIInChI=1S/C13H14N4O2/c1-9-3-4-11(19-2)10(7-9)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyWCCKWAFVQVZYAD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.44
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea

1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea (PubChem CID 6466621) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
PubChem CID6466621
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
SMILESCOc1ccc(C)cc1NC(=O)Nc1cnccn1
InChIInChI=1S/C13H14N4O2/c1-9-3-4-11(19-2)10(7-9)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyWCCKWAFVQVZYAD-UHFFFAOYSA-N
XLogP2.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea
CID 22046488
1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 22046500
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-pyrazin-2-ylurea
CID 22046416
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
N-[(E)-[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 17386398
1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
CID 108893864
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
CID 110492529

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea (CID 6466621) is 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea is COc1ccc(C)cc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is WCCKWAFVQVZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-3-4-11(19-2)10(7-9)16-13(18)17-12-8-14-5-6-15-12/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea?
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 258.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 6466621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).