2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine

C20H22N6O2 — CID 23492081

IUPAC2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
SMILESCc1ccc2cccc(Nc3ncnc(N4CCCCC4C)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C20H22N6O2/c1-13-9-10-15-7-5-8-16(17(15)23-13)24-19-18(26(27)28)20(22-12-21-19)25-11-4-3-6-14(25)2/h5,7-10,12,14H,3-4,6,11H2,1-2H3,(H,21,22,24)
InChIKeyOOWZXIZUQOHNKW-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.36
Rot. Bonds4

About 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine

2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine (PubChem CID 23492081) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine.

Molecular Properties

Compound Name2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
PubChem CID23492081
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
SMILESCc1ccc2cccc(Nc3ncnc(N4CCCCC4C)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C20H22N6O2/c1-13-9-10-15-7-5-8-16(17(15)23-13)24-19-18(26(27)28)20(22-12-21-19)25-11-4-3-6-14(25)2/h5,7-10,12,14H,3-4,6,11H2,1-2H3,(H,21,22,24)
InChIKeyOOWZXIZUQOHNKW-UHFFFAOYSA-N
XLogP4.36
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483725
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
6-(2-ethylpiperidin-1-yl)-N-(6-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23480806
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine
CID 22527458
4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23480836
N-(4-chlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492114
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine
CID 22527405
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
CID 23492456
N-(3,4-dichlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23485443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492094
4-N-(4-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23483757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine?
The IUPAC name of 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine (CID 23492081) is 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine.
What is the SMILES notation for 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine?
The canonical SMILES for 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine is Cc1ccc2cccc(Nc3ncnc(N4CCCCC4C)c3[N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine?
The InChIKey is OOWZXIZUQOHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-9-10-15-7-5-8-16(17(15)23-13)24-19-18(26(27)28)20(22-12-21-19)25-11-4-3-6-14(25)2/h5,7-10,12,14H,3-4,6,11H2,1-2H3,(H,21,22,24).
What are the key properties of 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine?
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine has a molecular weight of 378.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine is sourced from PubChem (CID 23492081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).