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

C23H21N5O — CID 109336437

IUPACN-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2cccc3cccnc23)n1)c1ccccc1
InChIInChI=1S/C23H21N5O/c1-3-28(18-11-5-4-6-12-18)22(29)20-15-16(2)25-23(27-20)26-19-13-7-9-17-10-8-14-24-21(17)19/h4-15H,3H2,1-2H3,(H,25,26,27)
InChIKeyPYXZTMAGICIGBL-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.74
Rot. Bonds5

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

N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109336437) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109336437
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2cccc3cccnc23)n1)c1ccccc1
InChIInChI=1S/C23H21N5O/c1-3-28(18-11-5-4-6-12-18)22(29)20-15-16(2)25-23(27-20)26-19-13-7-9-17-10-8-14-24-21(17)19/h4-15H,3H2,1-2H3,(H,25,26,27)
InChIKeyPYXZTMAGICIGBL-UHFFFAOYSA-N
XLogP4.74
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112928811
6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109330522
N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336772
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124
6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)acetamide
CID 109007764
N-ethyl-N-(3-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109178870
(4-methylpiperidin-1-yl)-[6-methyl-2-(quinolin-8-ylamino)pyrimidin-4-yl]methanone
CID 109323235
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109336437) is N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(Nc2cccc3cccnc23)n1)c1ccccc1.
What is the InChIKey of N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is PYXZTMAGICIGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-3-28(18-11-5-4-6-12-18)22(29)20-15-16(2)25-23(27-20)26-19-13-7-9-17-10-8-14-24-21(17)19/h4-15H,3H2,1-2H3,(H,25,26,27).
What are the key properties of N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).