1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea

C14H16N4O3 — CID 110492414

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
SMILESCOc1ccc(CNC(=O)Nc2cnccn2)cc1OC
InChIInChI=1S/C14H16N4O3/c1-20-11-4-3-10(7-12(11)21-2)8-17-14(19)18-13-9-15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyOVLBXZFBUOSJEA-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.82
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea

1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea (PubChem CID 110492414) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
PubChem CID110492414
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
SMILESCOc1ccc(CNC(=O)Nc2cnccn2)cc1OC
InChIInChI=1S/C14H16N4O3/c1-20-11-4-3-10(7-12(11)21-2)8-17-14(19)18-13-9-15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyOVLBXZFBUOSJEA-UHFFFAOYSA-N
XLogP1.82
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
CID 110492529
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
2-[4-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]-N-methylacetamide
CID 38216970

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea (CID 110492414) is 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea is COc1ccc(CNC(=O)Nc2cnccn2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea?
The InChIKey is OVLBXZFBUOSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-11-4-3-10(7-12(11)21-2)8-17-14(19)18-13-9-15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea?
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea has a molecular weight of 288.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).