2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine

C9H11ClN4O2 — CID 7147253

IUPAC2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1
InChIInChI=1S/C9H11ClN4O2/c10-9-11-5-7(14(15)16)8(13-9)12-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyWCBURNWVRFRXTK-UHFFFAOYSA-N
MW242.67 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine

2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine (PubChem CID 7147253) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine
PubChem CID7147253
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1
InChIInChI=1S/C9H11ClN4O2/c10-9-11-5-7(14(15)16)8(13-9)12-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyWCBURNWVRFRXTK-UHFFFAOYSA-N
XLogP2.39
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 52.39
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-cyclopentyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine (CID 7147253) is 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine?
The InChIKey is WCBURNWVRFRXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-9-11-5-7(14(15)16)8(13-9)12-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine?
2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine has a molecular weight of 242.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 7147253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).