4-chloro-2-(methoxymethyl)pyrimidine

C6H7ClN2O — CID 14306130

IUPAC4-chloro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-10-4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3
InChIKeyUQVFDJMABYSNMW-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.28
Rot. Bonds2

About 4-chloro-2-(methoxymethyl)pyrimidine

4-chloro-2-(methoxymethyl)pyrimidine (PubChem CID 14306130) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)pyrimidine
PubChem CID14306130
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name4-chloro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-10-4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3
InChIKeyUQVFDJMABYSNMW-UHFFFAOYSA-N
XLogP1.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)pyrimidine (CID 14306130) is 4-chloro-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)pyrimidine is COCc1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)pyrimidine?
The InChIKey is UQVFDJMABYSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-10-4-6-8-3-2-5(7)9-6/h2-3H,4H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)pyrimidine?
4-chloro-2-(methoxymethyl)pyrimidine has a molecular weight of 158.59 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 14306130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).