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

C17H17N5O — CID 109295489

IUPACN-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C17H17N5O/c1-11(2)20-16(23)14-8-10-19-17(22-14)21-13-7-3-5-12-6-4-9-18-15(12)13/h3-11H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyWVGZDWXFJNNUOE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.91
Rot. Bonds4

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

N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109295489) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109295489
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C17H17N5O/c1-11(2)20-16(23)14-8-10-19-17(22-14)21-13-7-3-5-12-6-4-9-18-15(12)13/h3-11H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyWVGZDWXFJNNUOE-UHFFFAOYSA-N
XLogP2.91
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109307431
2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112851683
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109295489) is N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CC(C)NC(=O)c1ccnc(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is WVGZDWXFJNNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11(2)20-16(23)14-8-10-19-17(22-14)21-13-7-3-5-12-6-4-9-18-15(12)13/h3-11H,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).