6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C18H19N5O — CID 109319423

IUPAC6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)nc(NC(C)C)n1
InChIInChI=1S/C18H19N5O/c1-11(2)20-18-21-12(3)10-15(23-18)17(24)22-14-8-4-6-13-7-5-9-19-16(13)14/h4-11H,1-3H3,(H,22,24)(H,20,21,23)
InChIKeySTDVPKYMJYAEBB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.41
Rot. Bonds4

About 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109319423) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109319423
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)nc(NC(C)C)n1
InChIInChI=1S/C18H19N5O/c1-11(2)20-18-21-12(3)10-15(23-18)17(24)22-14-8-4-6-13-7-5-9-19-16(13)14/h4-11H,1-3H3,(H,22,24)(H,20,21,23)
InChIKeySTDVPKYMJYAEBB-UHFFFAOYSA-N
XLogP3.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.41
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
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440
2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109338079
2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112851568
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319418
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863548
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109319423) is 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc3cccnc23)nc(NC(C)C)n1.
What is the InChIKey of 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is STDVPKYMJYAEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11(2)20-18-21-12(3)10-15(23-18)17(24)22-14-8-4-6-13-7-5-9-19-16(13)14/h4-11H,1-3H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).