2-cyclohexylpyrimidine

C10H13N2+ — CID 134863571

IUPAC2-cyclohexylpyrimidine
SMILESc1cnc([C@@H]2C[CH+]CCC2)nc1
InChIInChI=1S/C10H13N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2,4,7-9H,1,3,5-6H2/q+1/t9-/m1/s1
InChIKeyBZQPLUBNUYWSTJ-SECBINFHSA-N
MW161.23 g/mol
LogP2.34
Rot. Bonds1

About 2-cyclohexylpyrimidine

2-cyclohexylpyrimidine (PubChem CID 134863571) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-cyclohexylpyrimidine.

Molecular Properties

Compound Name2-cyclohexylpyrimidine
PubChem CID134863571
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name2-cyclohexylpyrimidine
SMILESc1cnc([C@@H]2C[CH+]CCC2)nc1
InChIInChI=1S/C10H13N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2,4,7-9H,1,3,5-6H2/q+1/t9-/m1/s1
InChIKeyBZQPLUBNUYWSTJ-SECBINFHSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyrimidine?
The IUPAC name of 2-cyclohexylpyrimidine (CID 134863571) is 2-cyclohexylpyrimidine.
What is the SMILES notation for 2-cyclohexylpyrimidine?
The canonical SMILES for 2-cyclohexylpyrimidine is c1cnc([C@@H]2C[CH+]CCC2)nc1.
What is the InChIKey of 2-cyclohexylpyrimidine?
The InChIKey is BZQPLUBNUYWSTJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2,4,7-9H,1,3,5-6H2/q+1/t9-/m1/s1.
What are the key properties of 2-cyclohexylpyrimidine?
2-cyclohexylpyrimidine has a molecular weight of 161.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyrimidine is sourced from PubChem (CID 134863571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).