N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C19H19N5O — CID 109350181

IUPACN-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccncc3)ncn2)c(C)c1
InChIInChI=1S/C19H19N5O/c1-13-3-4-16(14(2)9-13)24-19(25)17-10-18(23-12-22-17)21-11-15-5-7-20-8-6-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyTZBBQMPETIAHDZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds5

About N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109350181) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109350181
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccncc3)ncn2)c(C)c1
InChIInChI=1S/C19H19N5O/c1-13-3-4-16(14(2)9-13)24-19(25)17-10-18(23-12-22-17)21-11-15-5-7-20-8-6-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyTZBBQMPETIAHDZ-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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
methyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350231
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109350181) is N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCc3ccncc3)ncn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is TZBBQMPETIAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-3-4-16(14(2)9-13)24-19(25)17-10-18(23-12-22-17)21-11-15-5-7-20-8-6-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-(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)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).