N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide

C21H22N4O — CID 3235171

IUPACN,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide
SMILESCc1cccc(CNc2cc(-c3ccc(C(=O)N(C)C)cc3)ncn2)c1
InChIInChI=1S/C21H22N4O/c1-15-5-4-6-16(11-15)13-22-20-12-19(23-14-24-20)17-7-9-18(10-8-17)21(26)25(2)3/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChIKeyUVBDIGYOWOVIOR-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.77
Rot. Bonds5

About N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide

N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide (PubChem CID 3235171) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide
PubChem CID3235171
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide
SMILESCc1cccc(CNc2cc(-c3ccc(C(=O)N(C)C)cc3)ncn2)c1
InChIInChI=1S/C21H22N4O/c1-15-5-4-6-16(11-15)13-22-20-12-19(23-14-24-20)17-7-9-18(10-8-17)21(26)25(2)3/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChIKeyUVBDIGYOWOVIOR-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide 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

4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3235401
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
3-[[(6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778302
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109154379
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide (CID 3235171) is N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide is Cc1cccc(CNc2cc(-c3ccc(C(=O)N(C)C)cc3)ncn2)c1.
What is the InChIKey of N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide?
The InChIKey is UVBDIGYOWOVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-5-4-6-16(11-15)13-22-20-12-19(23-14-24-20)17-7-9-18(10-8-17)21(26)25(2)3/h4-12,14H,13H2,1-3H3,(H,22,23,24).
What are the key properties of N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide?
N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 3235171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).