6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine

C11H17N5O3 — CID 112726566

IUPAC6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(N2CCC(OC)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-12-10-9(16(17)18)11(14-7-13-10)15-5-3-8(19-2)4-6-15/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZVWAQJFCPCBVBC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.04
Rot. Bonds4

About 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine

6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 112726566) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine
PubChem CID112726566
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(N2CCC(OC)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-12-10-9(16(17)18)11(14-7-13-10)15-5-3-8(19-2)4-6-15/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZVWAQJFCPCBVBC-UHFFFAOYSA-N
XLogP1.04
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.04
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

1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 23487046
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxamide
CID 112725358
N-methyl-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 112730962
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 38739450
[1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidin-3-yl]methanol
CID 112726492
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
CID 23489844
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
methyl 1-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 23487634

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine (CID 112726566) is 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine is CNc1ncnc(N2CCC(OC)CC2)c1[N+](=O)[O-].
What is the InChIKey of 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is ZVWAQJFCPCBVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-12-10-9(16(17)18)11(14-7-13-10)15-5-3-8(19-2)4-6-15/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine?
6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 112726566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).