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

C23H21N5O — CID 109330522

IUPAC6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H21N5O/c1-16-15-20(22(29)25-14-12-17-7-3-2-4-8-17)28-23(26-16)27-19-11-5-9-18-10-6-13-24-21(18)19/h2-11,13,15H,12,14H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyYXACSCWNGXTRIF-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.05
Rot. Bonds6

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

6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109330522) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109330522
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H21N5O/c1-16-15-20(22(29)25-14-12-17-7-3-2-4-8-17)28-23(26-16)27-19-11-5-9-18-10-6-13-24-21(18)19/h2-11,13,15H,12,14H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyYXACSCWNGXTRIF-UHFFFAOYSA-N
XLogP4.05
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331067
2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330527
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109351150
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109330522) is 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccccc2)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is YXACSCWNGXTRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-15-20(22(29)25-14-12-17-7-3-2-4-8-17)28-23(26-16)27-19-11-5-9-18-10-6-13-24-21(18)19/h2-11,13,15H,12,14H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).