4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine

C7H8Cl2N2O — CID 63612316

IUPAC4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
SMILESCOCc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c1-4-6(8)10-5(3-12-2)11-7(4)9/h3H2,1-2H3
InChIKeyDMZTVAGLXPYOLY-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.24
Rot. Bonds2

About 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine

4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine (PubChem CID 63612316) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
PubChem CID63612316
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
SMILESCOCc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2O/c1-4-6(8)10-5(3-12-2)11-7(4)9/h3H2,1-2H3
InChIKeyDMZTVAGLXPYOLY-UHFFFAOYSA-N
XLogP2.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4,6-dichloro-2-(methoxymethyl)pyrimidine-5-carbaldehyde
CID 130537646
4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
CID 61412813
(4,6-dichloro-5-methylpyrimidin-2-yl)methanethiol
CID 122575658
1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79077879
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
5-bromo-4-chloro-2-(methoxymethyl)pyrimidine
CID 66294698
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
CID 63892135
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82459412
4-chloro-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42670620
4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
CID 174159301

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine (CID 63612316) is 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine is COCc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine?
The InChIKey is DMZTVAGLXPYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-4-6(8)10-5(3-12-2)11-7(4)9/h3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine?
4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine has a molecular weight of 207.06 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine is sourced from PubChem (CID 63612316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).