4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide

C19H18N4O — CID 3235401

IUPAC4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H18N4O/c1-23(2)19(24)15-10-8-14(9-11-15)17-12-18(21-13-20-17)22-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)
InChIKeyZWIBCHOULABABZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.59
Rot. Bonds4

About 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide

4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide (PubChem CID 3235401) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
PubChem CID3235401
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C19H18N4O/c1-23(2)19(24)15-10-8-14(9-11-15)17-12-18(21-13-20-17)22-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)
InChIKeyZWIBCHOULABABZ-UHFFFAOYSA-N
XLogP3.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide 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-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
N,N-dimethyl-4-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]benzamide
CID 3235171
N-[4-(6-anilinopyrimidin-4-yl)phenyl]prop-2-enamide
CID 174978109
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
4-(4-anilinopyrimidin-5-yl)-N,N-dimethylbenzamide
CID 3235503
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
2-bromo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108766928
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837

Frequently Asked Questions

What is the IUPAC name of 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide (CID 3235401) is 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc(Nc3ccccc3)ncn2)cc1.
What is the InChIKey of 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide?
The InChIKey is ZWIBCHOULABABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23(2)19(24)15-10-8-14(9-11-15)17-12-18(21-13-20-17)22-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22).
What are the key properties of 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide?
4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 3235401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).