5-(2-propan-2-yloxiran-2-yl)pyrimidine

C9H12N2O — CID 58149520

IUPAC5-(2-propan-2-yloxiran-2-yl)pyrimidine
SMILESCC(C)C1(c2cncnc2)CO1
InChIInChI=1S/C9H12N2O/c1-7(2)9(5-12-9)8-3-10-6-11-4-8/h3-4,6-7H,5H2,1-2H3
InChIKeyJWIBKFNZXDTNPI-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.36
Rot. Bonds2

About 5-(2-propan-2-yloxiran-2-yl)pyrimidine

5-(2-propan-2-yloxiran-2-yl)pyrimidine (PubChem CID 58149520) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(2-propan-2-yloxiran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-propan-2-yloxiran-2-yl)pyrimidine
PubChem CID58149520
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-(2-propan-2-yloxiran-2-yl)pyrimidine
SMILESCC(C)C1(c2cncnc2)CO1
InChIInChI=1S/C9H12N2O/c1-7(2)9(5-12-9)8-3-10-6-11-4-8/h3-4,6-7H,5H2,1-2H3
InChIKeyJWIBKFNZXDTNPI-UHFFFAOYSA-N
XLogP1.36
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-propan-2-yloxiran-2-yl)pyrimidine?
The IUPAC name of 5-(2-propan-2-yloxiran-2-yl)pyrimidine (CID 58149520) is 5-(2-propan-2-yloxiran-2-yl)pyrimidine.
What is the SMILES notation for 5-(2-propan-2-yloxiran-2-yl)pyrimidine?
The canonical SMILES for 5-(2-propan-2-yloxiran-2-yl)pyrimidine is CC(C)C1(c2cncnc2)CO1.
What is the InChIKey of 5-(2-propan-2-yloxiran-2-yl)pyrimidine?
The InChIKey is JWIBKFNZXDTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(2)9(5-12-9)8-3-10-6-11-4-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-(2-propan-2-yloxiran-2-yl)pyrimidine?
5-(2-propan-2-yloxiran-2-yl)pyrimidine has a molecular weight of 164.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxiran-2-yl)pyrimidine is sourced from PubChem (CID 58149520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).