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

C19H19N5O — CID 109350185

IUPACN-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C19H19N5O/c1-13-4-3-5-14(2)18(13)24-19(25)16-10-17(23-12-22-16)21-11-15-6-8-20-9-7-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyCRQOYWHPFAAMDW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109350185) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109350185
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C19H19N5O/c1-13-4-3-5-14(2)18(13)24-19(25)16-10-17(23-12-22-16)21-11-15-6-8-20-9-7-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyCRQOYWHPFAAMDW-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-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354203
N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
methyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350231
ethyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350266
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
2-methyl-6-(pyridin-4-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109371257
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109350185) is N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(NCc2ccncc2)ncn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is CRQOYWHPFAAMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-4-3-5-14(2)18(13)24-19(25)16-10-17(23-12-22-16)21-11-15-6-8-20-9-7-15/h3-10,12H,11H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,6-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-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).