1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea

C17H21ClN6O — CID 71807700

IUPAC1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H21ClN6O/c1-23(2)15-14(11-19-16(22-15)24-9-5-6-10-24)21-17(25)20-13-8-4-3-7-12(13)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,20,21,25)
InChIKeyWLKQPUXQMYZVGQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.44
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea

1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea (PubChem CID 71807700) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
PubChem CID71807700
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H21ClN6O/c1-23(2)15-14(11-19-16(22-15)24-9-5-6-10-24)21-17(25)20-13-8-4-3-7-12(13)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,20,21,25)
InChIKeyWLKQPUXQMYZVGQ-UHFFFAOYSA-N
XLogP3.44
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-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-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
1-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122320139
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
1-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]urea
CID 122320358
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
CID 91969320
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 91969330
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea (CID 71807700) is 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea is CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea?
The InChIKey is WLKQPUXQMYZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O/c1-23(2)15-14(11-19-16(22-15)24-9-5-6-10-24)21-17(25)20-13-8-4-3-7-12(13)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea?
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea has a molecular weight of 360.85 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea is sourced from PubChem (CID 71807700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).