carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine

C12H16N2O2 — CID 91424090

IUPACcarbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine
SMILESCC1CCC(Oc2ncccn2)CC1.[C-]#[O+]
InChIInChI=1S/C11H16N2O.CO/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11;1-2/h2,7-10H,3-6H2,1H3;
InChIKeyXURYLCNJVUCGBE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.40
Rot. Bonds2

About carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine

carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine (PubChem CID 91424090) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Namecarbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine
PubChem CID91424090
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecarbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine
SMILESCC1CCC(Oc2ncccn2)CC1.[C-]#[O+]
InChIInChI=1S/C11H16N2O.CO/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11;1-2/h2,7-10H,3-6H2,1H3;
InChIKeyXURYLCNJVUCGBE-UHFFFAOYSA-N
XLogP2.40
TPSA54.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine?
The IUPAC name of carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine (CID 91424090) is carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine is CC1CCC(Oc2ncccn2)CC1.[C-]#[O+].
What is the InChIKey of carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine?
The InChIKey is XURYLCNJVUCGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.CO/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11;1-2/h2,7-10H,3-6H2,1H3;.
What are the key properties of carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine?
carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine has a molecular weight of 220.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-(4-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 91424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).