2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine

C11H15ClN4O2 — CID 114043337

IUPAC2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine
SMILESCC1CCC(Nc2nc(Cl)ncc2[N+](=O)[O-])C1C
InChIInChI=1S/C11H15ClN4O2/c1-6-3-4-8(7(6)2)14-10-9(16(17)18)5-13-11(12)15-10/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyOXWKDFRERXFVCX-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine

2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine (PubChem CID 114043337) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine
PubChem CID114043337
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine
SMILESCC1CCC(Nc2nc(Cl)ncc2[N+](=O)[O-])C1C
InChIInChI=1S/C11H15ClN4O2/c1-6-3-4-8(7(6)2)14-10-9(16(17)18)5-13-11(12)15-10/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyOXWKDFRERXFVCX-UHFFFAOYSA-N
XLogP2.88
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine (CID 114043337) is 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine is CC1CCC(Nc2nc(Cl)ncc2[N+](=O)[O-])C1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine?
The InChIKey is OXWKDFRERXFVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-6-3-4-8(7(6)2)14-10-9(16(17)18)5-13-11(12)15-10/h5-8H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine?
2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine has a molecular weight of 270.72 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).