6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

C11H17N5O2 — CID 4224929

IUPAC6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CC(C)CN(c2ncnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H17N5O2/c1-7-3-8(2)5-15(4-7)11-9(16(17)18)10(12)13-6-14-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyKWHPIJCZFLCOQH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.45
Rot. Bonds2

About 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 4224929) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID4224929
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CC(C)CN(c2ncnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H17N5O2/c1-7-3-8(2)5-15(4-7)11-9(16(17)18)10(12)13-6-14-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyKWHPIJCZFLCOQH-UHFFFAOYSA-N
XLogP1.45
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 4224929) is 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is CC1CC(C)CN(c2ncnc(N)c2[N+](=O)[O-])C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is KWHPIJCZFLCOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-3-8(2)5-15(4-7)11-9(16(17)18)10(12)13-6-14-11/h6-8H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 4224929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).