2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride

C16H21ClN4O — CID 119707145

IUPAC2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-11(10-17-3)16(21)20-14-6-4-5-13(9-14)15-7-8-18-12(2)19-15;/h4-9,11,17H,10H2,1-3H3,(H,20,21);1H
InChIKeyKLVRUNWRDCQZIO-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride (PubChem CID 119707145) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
PubChem CID119707145
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-11(10-17-3)16(21)20-14-6-4-5-13(9-14)15-7-8-18-12(2)19-15;/h4-9,11,17H,10H2,1-3H3,(H,20,21);1H
InChIKeyKLVRUNWRDCQZIO-UHFFFAOYSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride 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

(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide
CID 47066335
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 122138158
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
N-(4-butan-2-ylphenyl)-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 112822811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride (CID 119707145) is 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride?
The InChIKey is KLVRUNWRDCQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-11(10-17-3)16(21)20-14-6-4-5-13(9-14)15-7-8-18-12(2)19-15;/h4-9,11,17H,10H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119707145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).