6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

C19H22N6O — CID 109344830

IUPAC6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C19H22N6O/c1-25(2)11-5-10-20-17-12-16(22-13-23-17)19(26)24-15-8-3-6-14-7-4-9-21-18(14)15/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,26)(H,20,22,23)
InChIKeyDRAZQLCQIHUXNX-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.64
Rot. Bonds7

About 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109344830) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109344830
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C19H22N6O/c1-25(2)11-5-10-20-17-12-16(22-13-23-17)19(26)24-15-8-3-6-14-7-4-9-21-18(14)15/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,26)(H,20,22,23)
InChIKeyDRAZQLCQIHUXNX-UHFFFAOYSA-N
XLogP2.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109351074
6-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109347369
2-N-[2-(dimethylamino)ethyl]-6-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109096405
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344684
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
6-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109349300
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344839
6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344223
6-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109359721

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109344830) is 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is CN(C)CCCNc1cc(C(=O)Nc2cccc3cccnc23)ncn1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is DRAZQLCQIHUXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-25(2)11-5-10-20-17-12-16(22-13-23-17)19(26)24-15-8-3-6-14-7-4-9-21-18(14)15/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,26)(H,20,22,23).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109344830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).