4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine

C12H19ClN2O2 — CID 103283647

IUPAC4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1cc(Cl)nc(COC)n1
InChIInChI=1S/C12H19ClN2O2/c1-4-5-9(2)7-17-12-6-10(13)14-11(15-12)8-16-3/h6,9H,4-5,7-8H2,1-3H3
InChIKeySQSOIWDHCSVDMB-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.09
Rot. Bonds7

About 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine

4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine (PubChem CID 103283647) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine
PubChem CID103283647
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1cc(Cl)nc(COC)n1
InChIInChI=1S/C12H19ClN2O2/c1-4-5-9(2)7-17-12-6-10(13)14-11(15-12)8-16-3/h6,9H,4-5,7-8H2,1-3H3
InChIKeySQSOIWDHCSVDMB-UHFFFAOYSA-N
XLogP3.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine (CID 103283647) is 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine is CCCC(C)COc1cc(Cl)nc(COC)n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine?
The InChIKey is SQSOIWDHCSVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-4-5-9(2)7-17-12-6-10(13)14-11(15-12)8-16-3/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine?
4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine has a molecular weight of 258.75 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-6-(2-methylpentoxy)pyrimidine is sourced from PubChem (CID 103283647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).