1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea

C17H20FN5O — CID 122299621

IUPAC1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
SMILESCC1CCN(c2ncc(NC(=O)Nc3cccc(F)c3)cn2)CC1
InChIInChI=1S/C17H20FN5O/c1-12-5-7-23(8-6-12)16-19-10-15(11-20-16)22-17(24)21-14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H2,21,22,24)
InChIKeyPESQFXFXAZWFSW-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.50
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea

1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea (PubChem CID 122299621) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
PubChem CID122299621
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
SMILESCC1CCN(c2ncc(NC(=O)Nc3cccc(F)c3)cn2)CC1
InChIInChI=1S/C17H20FN5O/c1-12-5-7-23(8-6-12)16-19-10-15(11-20-16)22-17(24)21-14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H2,21,22,24)
InChIKeyPESQFXFXAZWFSW-UHFFFAOYSA-N
XLogP3.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-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-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56752652
1-(3-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054408
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298481
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
2-(2-fluorophenoxy)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
CID 122299851
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352661
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299547

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea (CID 122299621) is 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea is CC1CCN(c2ncc(NC(=O)Nc3cccc(F)c3)cn2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea?
The InChIKey is PESQFXFXAZWFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12-5-7-23(8-6-12)16-19-10-15(11-20-16)22-17(24)21-14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea?
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea has a molecular weight of 329.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 122299621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).