4-propan-2-yl-2-prop-2-enoxypyrimidine

C10H14N2O — CID 58592834

IUPAC4-propan-2-yl-2-prop-2-enoxypyrimidine
SMILESC=CCOc1nccc(C(C)C)n1
InChIInChI=1S/C10H14N2O/c1-4-7-13-10-11-6-5-9(12-10)8(2)3/h4-6,8H,1,7H2,2-3H3
InChIKeyDRHWCUWPWRLFBD-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.16
Rot. Bonds4

About 4-propan-2-yl-2-prop-2-enoxypyrimidine

4-propan-2-yl-2-prop-2-enoxypyrimidine (PubChem CID 58592834) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-propan-2-yl-2-prop-2-enoxypyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-prop-2-enoxypyrimidine
PubChem CID58592834
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-propan-2-yl-2-prop-2-enoxypyrimidine
SMILESC=CCOc1nccc(C(C)C)n1
InChIInChI=1S/C10H14N2O/c1-4-7-13-10-11-6-5-9(12-10)8(2)3/h4-6,8H,1,7H2,2-3H3
InChIKeyDRHWCUWPWRLFBD-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-prop-2-enoxypyrimidine?
The IUPAC name of 4-propan-2-yl-2-prop-2-enoxypyrimidine (CID 58592834) is 4-propan-2-yl-2-prop-2-enoxypyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-prop-2-enoxypyrimidine?
The canonical SMILES for 4-propan-2-yl-2-prop-2-enoxypyrimidine is C=CCOc1nccc(C(C)C)n1.
What is the InChIKey of 4-propan-2-yl-2-prop-2-enoxypyrimidine?
The InChIKey is DRHWCUWPWRLFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-7-13-10-11-6-5-9(12-10)8(2)3/h4-6,8H,1,7H2,2-3H3.
What are the key properties of 4-propan-2-yl-2-prop-2-enoxypyrimidine?
4-propan-2-yl-2-prop-2-enoxypyrimidine has a molecular weight of 178.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-prop-2-enoxypyrimidine is sourced from PubChem (CID 58592834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).