3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide

C17H21ClN4O — CID 122322284

IUPAC3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(N(C)C)nc(CNC(=O)CCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O/c1-12-9-16(22(2)3)21-15(20-12)11-19-17(23)8-7-13-5-4-6-14(18)10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,23)
InChIKeyLOIAVJAZUFLDPB-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.75
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide

3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide (PubChem CID 122322284) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
PubChem CID122322284
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(N(C)C)nc(CNC(=O)CCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4O/c1-12-9-16(22(2)3)21-15(20-12)11-19-17(23)8-7-13-5-4-6-14(18)10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,23)
InChIKeyLOIAVJAZUFLDPB-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide 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

3-(3-chloro-4-fluorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322348
6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
CID 173090749
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122322260
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide (CID 122322284) is 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide is Cc1cc(N(C)C)nc(CNC(=O)CCc2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
The InChIKey is LOIAVJAZUFLDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-9-16(22(2)3)21-15(20-12)11-19-17(23)8-7-13-5-4-6-14(18)10-13/h4-6,9-10H,7-8,11H2,1-3H3,(H,19,23).
What are the key properties of 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide has a molecular weight of 332.84 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 122322284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).