5-methyl-2,4-bis(prop-2-enoxy)pyrimidine

C11H14N2O2 — CID 121218190

IUPAC5-methyl-2,4-bis(prop-2-enoxy)pyrimidine
SMILESC=CCOc1ncc(C)c(OCC=C)n1
InChIInChI=1S/C11H14N2O2/c1-4-6-14-10-9(3)8-12-11(13-10)15-7-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyAMWIBDCPFLHWRY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.91
Rot. Bonds6

About 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine

5-methyl-2,4-bis(prop-2-enoxy)pyrimidine (PubChem CID 121218190) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine.

Molecular Properties

Compound Name5-methyl-2,4-bis(prop-2-enoxy)pyrimidine
PubChem CID121218190
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-methyl-2,4-bis(prop-2-enoxy)pyrimidine
SMILESC=CCOc1ncc(C)c(OCC=C)n1
InChIInChI=1S/C11H14N2O2/c1-4-6-14-10-9(3)8-12-11(13-10)15-7-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyAMWIBDCPFLHWRY-UHFFFAOYSA-N
XLogP1.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine?
The IUPAC name of 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine (CID 121218190) is 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine.
What is the SMILES notation for 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine?
The canonical SMILES for 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine is C=CCOc1ncc(C)c(OCC=C)n1.
What is the InChIKey of 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine?
The InChIKey is AMWIBDCPFLHWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-6-14-10-9(3)8-12-11(13-10)15-7-5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine?
5-methyl-2,4-bis(prop-2-enoxy)pyrimidine has a molecular weight of 206.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(prop-2-enoxy)pyrimidine is sourced from PubChem (CID 121218190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).