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

C20H23N5O — CID 112846784

IUPAC2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C20H23N5O/c1-3-4-5-11-21-18-13-17(23-14(2)24-18)20(26)25-16-10-6-8-15-9-7-12-22-19(15)16/h6-10,12-13H,3-5,11H2,1-2H3,(H,25,26)(H,21,23,24)
InChIKeyCEAYNBNKGYYFHV-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.19
Rot. Bonds7

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

2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 112846784) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID112846784
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C20H23N5O/c1-3-4-5-11-21-18-13-17(23-14(2)24-18)20(26)25-16-10-6-8-15-9-7-12-22-19(15)16/h6-10,12-13H,3-5,11H2,1-2H3,(H,25,26)(H,21,23,24)
InChIKeyCEAYNBNKGYYFHV-UHFFFAOYSA-N
XLogP4.19
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
N-(2,6-dichlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846794
6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109370264
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 112846784) is 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1.
What is the InChIKey of 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is CEAYNBNKGYYFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-4-5-11-21-18-13-17(23-14(2)24-18)20(26)25-16-10-6-8-15-9-7-12-22-19(15)16/h6-10,12-13H,3-5,11H2,1-2H3,(H,25,26)(H,21,23,24).
What are the key properties of 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).