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

C7H9ClN2O — CID 13153422

IUPAC4-chloro-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)cc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c1-5-3-6(8)10-7(9-5)4-11-2/h3H,4H2,1-2H3
InChIKeyLRAIBXGPDUQUBD-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.58
Rot. Bonds2

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

4-chloro-2-(methoxymethyl)-6-methylpyrimidine (PubChem CID 13153422) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-6-methylpyrimidine
PubChem CID13153422
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name4-chloro-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)cc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c1-5-3-6(8)10-7(9-5)4-11-2/h3H,4H2,1-2H3
InChIKeyLRAIBXGPDUQUBD-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 ≤ 500172.62
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-chloro-6-methylpyrimidine
CID 21810
2,4-Dichloro-6-methylpyrimidine
CID 79471
4-Chloro-2,6-dimethylpyrimidine
CID 3154199
4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
CID 3306907
4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 19009749
4-Chloro-6-(chloromethyl)-2-methylpyrimidine
CID 33781222
4-Chloro-6-(methoxymethyl)-2-methylpyrimidine
CID 13153423
4-Chloro-N,N,6-trimethylpyrimidin-2-amine
CID 21960
4-Chloro-6-(difluoromethyl)-2-methylpyrimidine
CID 17835510
4-Chloro-6-methyl-2-(trifluoromethyl)pyrimidine
CID 25067267
4-Chloro-2-cyclopropyl-6-methylpyrimidine
CID 43557492
4-Chloro-6-methyl-2-pyrimidinecarbonitrile
CID 45787496

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine (CID 13153422) is 4-chloro-2-(methoxymethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-6-methylpyrimidine is COCc1nc(C)cc(Cl)n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine?
The InChIKey is LRAIBXGPDUQUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-5-3-6(8)10-7(9-5)4-11-2/h3H,4H2,1-2H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine?
4-chloro-2-(methoxymethyl)-6-methylpyrimidine has a molecular weight of 172.62 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-2-(methoxymethyl)-6-methylpyrimidine is sourced from PubChem (CID 13153422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).