6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

C22H30N6O2 — CID 22528361

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ncnc(N3CCCc4ccccc43)c2[N+](=O)[O-])CC(C)(C)N1
InChIInChI=1S/C22H30N6O2/c1-21(2)12-16(13-22(3,4)26-21)25-19-18(28(29)30)20(24-14-23-19)27-11-7-9-15-8-5-6-10-17(15)27/h5-6,8,10,14,16,26H,7,9,11-13H2,1-4H3,(H,23,24,25)
InChIKeyVPFQKJWDSRLMKP-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.19
Rot. Bonds4

About 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 22528361) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID22528361
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ncnc(N3CCCc4ccccc43)c2[N+](=O)[O-])CC(C)(C)N1
InChIInChI=1S/C22H30N6O2/c1-21(2)12-16(13-22(3,4)26-21)25-19-18(28(29)30)20(24-14-23-19)27-11-7-9-15-8-5-6-10-17(15)27/h5-6,8,10,14,16,26H,7,9,11-13H2,1-4H3,(H,23,24,25)
InChIKeyVPFQKJWDSRLMKP-UHFFFAOYSA-N
XLogP4.19
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
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'}

Analyze 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23492439
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 23484858
6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23491020
N'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22531446
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22531414
5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 22526030
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19145815
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22531515
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 22531507
N-cyclopropyl-5-nitro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine
CID 22003868

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 22528361) is 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is CC1(C)CC(Nc2ncnc(N3CCCc4ccccc43)c2[N+](=O)[O-])CC(C)(C)N1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is VPFQKJWDSRLMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-21(2)12-16(13-22(3,4)26-21)25-19-18(28(29)30)20(24-14-23-19)27-11-7-9-15-8-5-6-10-17(15)27/h5-6,8,10,14,16,26H,7,9,11-13H2,1-4H3,(H,23,24,25).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 410.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 22528361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).