1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea

C14H15FN4O — CID 3665876

IUPAC1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2ccc(C)c(F)c2)cn1
InChIInChI=1S/C14H15FN4O/c1-9-3-4-11(5-13(9)15)19-14(20)18-8-12-7-16-10(2)6-17-12/h3-7H,8H2,1-2H3,(H2,18,19,20)
InChIKeyHHGSAWXYDNRDNV-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea

1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea (PubChem CID 3665876) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea
PubChem CID3665876
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2ccc(C)c(F)c2)cn1
InChIInChI=1S/C14H15FN4O/c1-9-3-4-11(5-13(9)15)19-14(20)18-8-12-7-16-10(2)6-17-12/h3-7H,8H2,1-2H3,(H2,18,19,20)
InChIKeyHHGSAWXYDNRDNV-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea (CID 3665876) is 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea is Cc1cnc(CNC(=O)Nc2ccc(C)c(F)c2)cn1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
The InChIKey is HHGSAWXYDNRDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9-3-4-11(5-13(9)15)19-14(20)18-8-12-7-16-10(2)6-17-12/h3-7H,8H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea has a molecular weight of 274.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 3665876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).