4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine

C13H21ClN2O — CID 103283665

IUPAC4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C13H21ClN2O/c1-5-7-9(3)8-17-13-10(4)12(14)15-11(6-2)16-13/h9H,5-8H2,1-4H3
InChIKeyFSQCBHWWRWUEAO-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.82
Rot. Bonds6

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

4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine (PubChem CID 103283665) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine
PubChem CID103283665
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C13H21ClN2O/c1-5-7-9(3)8-17-13-10(4)12(14)15-11(6-2)16-13/h9H,5-8H2,1-4H3
InChIKeyFSQCBHWWRWUEAO-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine (CID 103283665) is 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine is CCCC(C)COc1nc(CC)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine?
The InChIKey is FSQCBHWWRWUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-5-7-9(3)8-17-13-10(4)12(14)15-11(6-2)16-13/h9H,5-8H2,1-4H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine?
4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine has a molecular weight of 256.78 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine is sourced from PubChem (CID 103283665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).