2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

C11H16ClN5O2 — CID 114043393

IUPAC2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCCC(C)N1Nc1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16ClN5O2/c1-7-4-3-5-8(2)16(7)15-10-9(17(18)19)6-13-11(12)14-10/h6-8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyJBYZKROWUUVEOZ-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 114043393) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID114043393
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCCC(C)N1Nc1nc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16ClN5O2/c1-7-4-3-5-8(2)16(7)15-10-9(17(18)19)6-13-11(12)14-10/h6-8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyJBYZKROWUUVEOZ-UHFFFAOYSA-N
XLogP2.63
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.63
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 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 114043393) is 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is CC1CCCC(C)N1Nc1nc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is JBYZKROWUUVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-7-4-3-5-8(2)16(7)15-10-9(17(18)19)6-13-11(12)14-10/h6-8H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 285.74 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).