2-chloro-5-(methoxymethoxy)pyrimidine

C6H7ClN2O2 — CID 156871800

IUPAC2-chloro-5-(methoxymethoxy)pyrimidine
SMILESCOCOc1cnc(Cl)nc1
InChIInChI=1S/C6H7ClN2O2/c1-10-4-11-5-2-8-6(7)9-3-5/h2-3H,4H2,1H3
InChIKeyPEJSFBVZANIZKN-UHFFFAOYSA-N
MW174.59 g/mol
LogP1.11
Rot. Bonds3

About 2-chloro-5-(methoxymethoxy)pyrimidine

2-chloro-5-(methoxymethoxy)pyrimidine (PubChem CID 156871800) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-chloro-5-(methoxymethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(methoxymethoxy)pyrimidine
PubChem CID156871800
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-chloro-5-(methoxymethoxy)pyrimidine
SMILESCOCOc1cnc(Cl)nc1
InChIInChI=1S/C6H7ClN2O2/c1-10-4-11-5-2-8-6(7)9-3-5/h2-3H,4H2,1H3
InChIKeyPEJSFBVZANIZKN-UHFFFAOYSA-N
XLogP1.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methoxymethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-(methoxymethoxy)pyrimidine (CID 156871800) is 2-chloro-5-(methoxymethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(methoxymethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(methoxymethoxy)pyrimidine is COCOc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(methoxymethoxy)pyrimidine?
The InChIKey is PEJSFBVZANIZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-10-4-11-5-2-8-6(7)9-3-5/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-(methoxymethoxy)pyrimidine?
2-chloro-5-(methoxymethoxy)pyrimidine has a molecular weight of 174.59 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methoxymethoxy)pyrimidine is sourced from PubChem (CID 156871800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).