6-cyclohexyl-5-nitropyrimidin-4-amine

C10H14N4O2 — CID 71384152

IUPAC6-cyclohexyl-5-nitropyrimidin-4-amine
SMILESNc1ncnc(C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c11-10-9(14(15)16)8(12-6-13-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyNDMSQFDOCYPUQW-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.01
Rot. Bonds2

About 6-cyclohexyl-5-nitropyrimidin-4-amine

6-cyclohexyl-5-nitropyrimidin-4-amine (PubChem CID 71384152) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-cyclohexyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-5-nitropyrimidin-4-amine
PubChem CID71384152
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-cyclohexyl-5-nitropyrimidin-4-amine
SMILESNc1ncnc(C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c11-10-9(14(15)16)8(12-6-13-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13)
InChIKeyNDMSQFDOCYPUQW-UHFFFAOYSA-N
XLogP2.01
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.01
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 6-cyclohexyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-cyclohexyl-5-nitropyrimidin-4-amine (CID 71384152) is 6-cyclohexyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyl-5-nitropyrimidin-4-amine is Nc1ncnc(C2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of 6-cyclohexyl-5-nitropyrimidin-4-amine?
The InChIKey is NDMSQFDOCYPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10-9(14(15)16)8(12-6-13-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13).
What are the key properties of 6-cyclohexyl-5-nitropyrimidin-4-amine?
6-cyclohexyl-5-nitropyrimidin-4-amine has a molecular weight of 222.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 71384152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).