N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C23H21N5O — CID 109357553

IUPACN-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C23H21N5O/c1-3-16-8-4-7-15(2)21(16)28-23(29)19-13-20(26-14-25-19)27-18-11-5-9-17-10-6-12-24-22(17)18/h4-14H,3H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyPMJGAZCIQSIBRY-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.89
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109357553) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109357553
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C23H21N5O/c1-3-16-8-4-7-15(2)21(16)28-23(29)19-13-20(26-14-25-19)27-18-11-5-9-17-10-6-12-24-22(17)18/h4-14H,3H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyPMJGAZCIQSIBRY-UHFFFAOYSA-N
XLogP4.89
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357540
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357666
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
5-(2-ethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291574
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109357553) is N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(Nc2cccc3cccnc23)ncn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is PMJGAZCIQSIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-3-16-8-4-7-15(2)21(16)28-23(29)19-13-20(26-14-25-19)27-18-11-5-9-17-10-6-12-24-22(17)18/h4-14H,3H2,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).