2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine

C16H22N2O2 — CID 59790708

IUPAC2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine
SMILESc1nc(CC2CO2)ncc1C1CCC(CC2CO2)CC1
InChIInChI=1S/C16H22N2O2/c1-3-12(4-2-11(1)5-14-9-19-14)13-7-17-16(18-8-13)6-15-10-20-15/h7-8,11-12,14-15H,1-6,9-10H2
InChIKeyHWUDJHOGIZJNDC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.48
Rot. Bonds5

About 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine

2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine (PubChem CID 59790708) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine
PubChem CID59790708
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine
SMILESc1nc(CC2CO2)ncc1C1CCC(CC2CO2)CC1
InChIInChI=1S/C16H22N2O2/c1-3-12(4-2-11(1)5-14-9-19-14)13-7-17-16(18-8-13)6-15-10-20-15/h7-8,11-12,14-15H,1-6,9-10H2
InChIKeyHWUDJHOGIZJNDC-UHFFFAOYSA-N
XLogP2.48
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.48
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 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine?
The IUPAC name of 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine (CID 59790708) is 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine is c1nc(CC2CO2)ncc1C1CCC(CC2CO2)CC1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine?
The InChIKey is HWUDJHOGIZJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(4-2-11(1)5-14-9-19-14)13-7-17-16(18-8-13)6-15-10-20-15/h7-8,11-12,14-15H,1-6,9-10H2.
What are the key properties of 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine?
2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine has a molecular weight of 274.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine is sourced from PubChem (CID 59790708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).