1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea

C19H23FN4O — CID 71972649

IUPAC1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCc1nccc(CNC(=O)NC(c2ccccc2F)C2CCCC2)n1
InChIInChI=1S/C19H23FN4O/c1-13-21-11-10-15(23-13)12-22-19(25)24-18(14-6-2-3-7-14)16-8-4-5-9-17(16)20/h4-5,8-11,14,18H,2-3,6-7,12H2,1H3,(H2,22,24,25)
InChIKeyBRAUMOLVMAXXHM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.65
Rot. Bonds5

About 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea

1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea (PubChem CID 71972649) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
PubChem CID71972649
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCc1nccc(CNC(=O)NC(c2ccccc2F)C2CCCC2)n1
InChIInChI=1S/C19H23FN4O/c1-13-21-11-10-15(23-13)12-22-19(25)24-18(14-6-2-3-7-14)16-8-4-5-9-17(16)20/h4-5,8-11,14,18H,2-3,6-7,12H2,1H3,(H2,22,24,25)
InChIKeyBRAUMOLVMAXXHM-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-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-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 96537537
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 126768193
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61016899
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
CID 170579179
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 38948033
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
CID 107827257

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea (CID 71972649) is 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea is Cc1nccc(CNC(=O)NC(c2ccccc2F)C2CCCC2)n1.
What is the InChIKey of 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The InChIKey is BRAUMOLVMAXXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-21-11-10-15(23-13)12-22-19(25)24-18(14-6-2-3-7-14)16-8-4-5-9-17(16)20/h4-5,8-11,14,18H,2-3,6-7,12H2,1H3,(H2,22,24,25).
What are the key properties of 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea has a molecular weight of 342.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 71972649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).