N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C22H19N5O — CID 109315229

IUPACN-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C22H19N5O/c1-14-11-15(2)13-17(12-14)25-21(28)19-8-10-24-22(27-19)26-18-7-3-5-16-6-4-9-23-20(16)18/h3-13H,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyJWXPTFBVQYQJCT-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.64
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109315229) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109315229
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C22H19N5O/c1-14-11-15(2)13-17(12-14)25-21(28)19-8-10-24-22(27-19)26-18-7-3-5-16-6-4-9-23-20(16)18/h3-13H,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyJWXPTFBVQYQJCT-UHFFFAOYSA-N
XLogP4.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315235
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109315229) is N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(Nc3cccc4cccnc34)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is JWXPTFBVQYQJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-11-15(2)13-17(12-14)25-21(28)19-8-10-24-22(27-19)26-18-7-3-5-16-6-4-9-23-20(16)18/h3-13H,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).