4-chloro-6-(methoxymethyl)-2-methylpyrimidine

C7H9ClN2O — CID 13153423

IUPAC4-chloro-6-(methoxymethyl)-2-methylpyrimidine
SMILESCOCc1cc(Cl)nc(C)n1
InChIInChI=1S/C7H9ClN2O/c1-5-9-6(4-11-2)3-7(8)10-5/h3H,4H2,1-2H3
InChIKeyQLPMACVIRPWEKZ-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.58
Rot. Bonds2

About 4-chloro-6-(methoxymethyl)-2-methylpyrimidine

4-chloro-6-(methoxymethyl)-2-methylpyrimidine (PubChem CID 13153423) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-methylpyrimidine
PubChem CID13153423
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name4-chloro-6-(methoxymethyl)-2-methylpyrimidine
SMILESCOCc1cc(Cl)nc(C)n1
InChIInChI=1S/C7H9ClN2O/c1-5-9-6(4-11-2)3-7(8)10-5/h3H,4H2,1-2H3
InChIKeyQLPMACVIRPWEKZ-UHFFFAOYSA-N
XLogP1.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-methylpyrimidine (CID 13153423) is 4-chloro-6-(methoxymethyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-methylpyrimidine is COCc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-methylpyrimidine?
The InChIKey is QLPMACVIRPWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-5-9-6(4-11-2)3-7(8)10-5/h3H,4H2,1-2H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-methylpyrimidine?
4-chloro-6-(methoxymethyl)-2-methylpyrimidine has a molecular weight of 172.61 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-methylpyrimidine is sourced from PubChem (CID 13153423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).