4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine

C9H12Cl2N2O — CID 63612482

IUPAC4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine
SMILESCCCOCc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-14-5-7-12-8(10)6(2)9(11)13-7/h3-5H2,1-2H3
InChIKeyJAPPMDOKGCWLKK-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.02
Rot. Bonds4

About 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine

4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine (PubChem CID 63612482) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine
PubChem CID63612482
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine
SMILESCCCOCc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C9H12Cl2N2O/c1-3-4-14-5-7-12-8(10)6(2)9(11)13-7/h3-5H2,1-2H3
InChIKeyJAPPMDOKGCWLKK-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
4,6-Dichloro-2-(methoxymethyl)pyrimidine
CID 53438121
4,6-Dichloro-2-ethyl-5-methylpyrimidine
CID 59943664
4,6-Dichloro-2-(ethoxymethyl)pyrimidine
CID 65669367
4,6-Dichloro-2-(1-methoxyethyl)pyrimidine
CID 79617116
2-Tert-butyl-4,6-dichloro-5-methylpyrimidine
CID 824660
6-chloro-2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833896
6-chloro-2-ethyl-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 79557169
2-(4,6-Dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine
CID 80550167
4,6-Dichloro-2-(ethoxymethyl)-5-fluoropyrimidine
CID 80550169
4,6-Dichloro-5-fluoro-2-(2-methoxypropan-2-yl)pyrimidine
CID 80550213
4,6-Dichloro-5-fluoro-2-(propoxymethyl)pyrimidine
CID 80550273

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine (CID 63612482) is 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine is CCCOCc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine?
The InChIKey is JAPPMDOKGCWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-3-4-14-5-7-12-8(10)6(2)9(11)13-7/h3-5H2,1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine?
4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine has a molecular weight of 235.11 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(propoxymethyl)pyrimidine is sourced from PubChem (CID 63612482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).