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

C16H20N4O3 — CID 110492529

IUPAC1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2cnccn2)cc1OC
InChIInChI=1S/C16H20N4O3/c1-16(2,11-5-6-12(22-3)13(9-11)23-4)20-15(21)19-14-10-17-7-8-18-14/h5-10H,1-4H3,(H2,18,19,20,21)
InChIKeyUVWIMUQLGQNJRW-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.55
Rot. Bonds5

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

1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea (PubChem CID 110492529) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
PubChem CID110492529
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2cnccn2)cc1OC
InChIInChI=1S/C16H20N4O3/c1-16(2,11-5-6-12(22-3)13(9-11)23-4)20-15(21)19-14-10-17-7-8-18-14/h5-10H,1-4H3,(H2,18,19,20,21)
InChIKeyUVWIMUQLGQNJRW-UHFFFAOYSA-N
XLogP2.55
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 113216665
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646
2-(3,4-dimethoxyphenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 110439552
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea (CID 110492529) is 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea is COc1ccc(C(C)(C)NC(=O)Nc2cnccn2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea?
The InChIKey is UVWIMUQLGQNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,11-5-6-12(22-3)13(9-11)23-4)20-15(21)19-14-10-17-7-8-18-14/h5-10H,1-4H3,(H2,18,19,20,21).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea?
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea has a molecular weight of 316.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).