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

C10H13ClN4O2 — CID 7147236

IUPAC2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(Cl)nc1NC1CCCCC1
InChIInChI=1S/C10H13ClN4O2/c11-10-12-6-8(15(16)17)9(14-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyHYWUBWDYBHATQI-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.78
Rot. Bonds3

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

2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine (PubChem CID 7147236) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine
PubChem CID7147236
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(Cl)nc1NC1CCCCC1
InChIInChI=1S/C10H13ClN4O2/c11-10-12-6-8(15(16)17)9(14-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyHYWUBWDYBHATQI-UHFFFAOYSA-N
XLogP2.78
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.78
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-cyclohexyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine (CID 7147236) is 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine is O=[N+]([O-])c1cnc(Cl)nc1NC1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine?
The InChIKey is HYWUBWDYBHATQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-10-12-6-8(15(16)17)9(14-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine?
2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine has a molecular weight of 256.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 7147236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).