1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea

C19H25N5O — CID 122352687

IUPAC1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCc2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C19H25N5O/c1-14-7-6-8-16(11-14)23-19(25)20-13-17-12-15(2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H2,20,23,25)
InChIKeyFQBNZBKZFSLKOX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea

1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea (PubChem CID 122352687) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
PubChem CID122352687
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCc2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C19H25N5O/c1-14-7-6-8-16(11-14)23-19(25)20-13-17-12-15(2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H2,20,23,25)
InChIKeyFQBNZBKZFSLKOX-UHFFFAOYSA-N
XLogP3.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-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

Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352691
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylphenyl)urea
CID 122254472
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352279
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
1-(4-ethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352293
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122352598
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
1-(3-methylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966659
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
1-(3-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 72718331

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea (CID 122352687) is 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea is Cc1cccc(NC(=O)NCc2cc(C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
The InChIKey is FQBNZBKZFSLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-7-6-8-16(11-14)23-19(25)20-13-17-12-15(2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H2,20,23,25).
What are the key properties of 1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.41, 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-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122352687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).