4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine

C12H17ClN2O — CID 61000227

IUPAC4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine
SMILESCCc1c(C)nc(CC2CCCO2)nc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-10-8(2)14-11(15-12(10)13)7-9-5-4-6-16-9/h9H,3-7H2,1-2H3
InChIKeyAUPCVBOPUMUUJW-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.72
Rot. Bonds3

About 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine (PubChem CID 61000227) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine
PubChem CID61000227
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine
SMILESCCc1c(C)nc(CC2CCCO2)nc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-10-8(2)14-11(15-12(10)13)7-9-5-4-6-16-9/h9H,3-7H2,1-2H3
InChIKeyAUPCVBOPUMUUJW-UHFFFAOYSA-N
XLogP2.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine (CID 61000227) is 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine is CCc1c(C)nc(CC2CCCO2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
The InChIKey is AUPCVBOPUMUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-10-8(2)14-11(15-12(10)13)7-9-5-4-6-16-9/h9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine has a molecular weight of 240.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidine is sourced from PubChem (CID 61000227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).