N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C19H19N5O — CID 109307504

IUPACN-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccncc3)n2)c(C)c1
InChIInChI=1S/C19H19N5O/c1-13-3-4-16(14(2)11-13)23-18(25)17-7-10-21-19(24-17)22-12-15-5-8-20-9-6-15/h3-11H,12H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFYMMEFOKOXVTCV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307504) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307504
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccncc3)n2)c(C)c1
InChIInChI=1S/C19H19N5O/c1-13-3-4-16(14(2)11-13)23-18(25)17-7-10-21-19(24-17)22-12-15-5-8-20-9-6-15/h3-11H,12H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFYMMEFOKOXVTCV-UHFFFAOYSA-N
XLogP3.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide 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

2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109296399
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307504) is N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccncc3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FYMMEFOKOXVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-3-4-16(14(2)11-13)23-18(25)17-7-10-21-19(24-17)22-12-15-5-8-20-9-6-15/h3-11H,12H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).