N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

C22H19N5O — CID 109255647

IUPACN-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C22H19N5O/c1-15-6-2-3-7-17(15)12-24-21(28)18-13-25-22(26-14-18)27-19-10-4-8-16-9-5-11-23-20(16)19/h2-11,13-14H,12H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyFYEQQSATEKFQCM-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.01
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (PubChem CID 109255647) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
PubChem CID109255647
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C22H19N5O/c1-15-6-2-3-7-17(15)12-24-21(28)18-13-25-22(26-14-18)27-19-10-4-8-16-9-5-11-23-20(16)19/h2-11,13-14H,12H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyFYEQQSATEKFQCM-UHFFFAOYSA-N
XLogP4.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (CID 109255647) is N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is Cc1ccccc1CNC(=O)c1cnc(Nc2cccc3cccnc23)nc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The InChIKey is FYEQQSATEKFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-6-2-3-7-17(15)12-24-21(28)18-13-25-22(26-14-18)27-19-10-4-8-16-9-5-11-23-20(16)19/h2-11,13-14H,12H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).