2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C23H21N5O — CID 112851683

IUPAC2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc3cccnc23)nc(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O/c1-15(2)25-23(29)19-14-20(28-22(27-19)17-8-4-3-5-9-17)26-18-12-6-10-16-11-7-13-24-21(16)18/h3-15H,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyWHRRWMOAGTVCPZ-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.57
Rot. Bonds5

About 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 112851683) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID112851683
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2cccc3cccnc23)nc(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O/c1-15(2)25-23(29)19-14-20(28-22(27-19)17-8-4-3-5-9-17)26-18-12-6-10-16-11-7-13-24-21(16)18/h3-15H,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyWHRRWMOAGTVCPZ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112851568
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 112851428
6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 112851683) is 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(Nc2cccc3cccnc23)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is WHRRWMOAGTVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15(2)25-23(29)19-14-20(28-22(27-19)17-8-4-3-5-9-17)26-18-12-6-10-16-11-7-13-24-21(16)18/h3-15H,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).