1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea

C21H22N4O2 — CID 53118315

IUPAC1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccc(C(C)C)cc3)c2=O)c1
InChIInChI=1S/C21H22N4O2/c1-14(2)16-7-9-18(10-8-16)25-12-11-22-19(20(25)26)24-21(27)23-17-6-4-5-15(3)13-17/h4-14H,1-3H3,(H2,22,23,24,27)
InChIKeyKMDJTBMJPXDUPU-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.31
Rot. Bonds4

About 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea

1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea (PubChem CID 53118315) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
PubChem CID53118315
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccc(C(C)C)cc3)c2=O)c1
InChIInChI=1S/C21H22N4O2/c1-14(2)16-7-9-18(10-8-16)25-12-11-22-19(20(25)26)24-21(27)23-17-6-4-5-15(3)13-17/h4-14H,1-3H3,(H2,22,23,24,27)
InChIKeyKMDJTBMJPXDUPU-UHFFFAOYSA-N
XLogP4.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
N-(3-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31775569
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
N-(3-chlorophenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721442
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 20941702
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea (CID 53118315) is 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea is Cc1cccc(NC(=O)Nc2nccn(-c3ccc(C(C)C)cc3)c2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea?
The InChIKey is KMDJTBMJPXDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)16-7-9-18(10-8-16)25-12-11-22-19(20(25)26)24-21(27)23-17-6-4-5-15(3)13-17/h4-14H,1-3H3,(H2,22,23,24,27).
What are the key properties of 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea?
1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea has a molecular weight of 362.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea is sourced from PubChem (CID 53118315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).