5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine

C14H14N2O2 — CID 59790994

IUPAC5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
SMILESCc1cnc(-c2ccc(OCC3CO3)cc2)nc1
InChIInChI=1S/C14H14N2O2/c1-10-6-15-14(16-7-10)11-2-4-12(5-3-11)17-8-13-9-18-13/h2-7,13H,8-9H2,1H3
InChIKeyOAWXVMXAEKCSRJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.23
Rot. Bonds4

About 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine

5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine (PubChem CID 59790994) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
PubChem CID59790994
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
SMILESCc1cnc(-c2ccc(OCC3CO3)cc2)nc1
InChIInChI=1S/C14H14N2O2/c1-10-6-15-14(16-7-10)11-2-4-12(5-3-11)17-8-13-9-18-13/h2-7,13H,8-9H2,1H3
InChIKeyOAWXVMXAEKCSRJ-UHFFFAOYSA-N
XLogP2.23
TPSA47.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine?
The IUPAC name of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine (CID 59790994) is 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine?
The canonical SMILES for 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine is Cc1cnc(-c2ccc(OCC3CO3)cc2)nc1.
What is the InChIKey of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine?
The InChIKey is OAWXVMXAEKCSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-6-15-14(16-7-10)11-2-4-12(5-3-11)17-8-13-9-18-13/h2-7,13H,8-9H2,1H3.
What are the key properties of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine?
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine has a molecular weight of 242.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine is sourced from PubChem (CID 59790994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).