4,6-dichloro-5-(dimethoxymethyl)pyrimidine

C7H8Cl2N2O2 — CID 165406605

IUPAC4,6-dichloro-5-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O2/c1-12-7(13-2)4-5(8)10-3-11-6(4)9/h3,7H,1-2H3
InChIKeyIOENZDDLZOEFAJ-UHFFFAOYSA-N
MW223.06 g/mol
LogP2.07
Rot. Bonds3

About 4,6-dichloro-5-(dimethoxymethyl)pyrimidine

4,6-dichloro-5-(dimethoxymethyl)pyrimidine (PubChem CID 165406605) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 4,6-dichloro-5-(dimethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(dimethoxymethyl)pyrimidine
PubChem CID165406605
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name4,6-dichloro-5-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O2/c1-12-7(13-2)4-5(8)10-3-11-6(4)9/h3,7H,1-2H3
InChIKeyIOENZDDLZOEFAJ-UHFFFAOYSA-N
XLogP2.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 52.07
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 4,6-dichloro-5-(dimethoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(dimethoxymethyl)pyrimidine (CID 165406605) is 4,6-dichloro-5-(dimethoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(dimethoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(dimethoxymethyl)pyrimidine is COC(OC)c1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(dimethoxymethyl)pyrimidine?
The InChIKey is IOENZDDLZOEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2/c1-12-7(13-2)4-5(8)10-3-11-6(4)9/h3,7H,1-2H3.
What are the key properties of 4,6-dichloro-5-(dimethoxymethyl)pyrimidine?
4,6-dichloro-5-(dimethoxymethyl)pyrimidine has a molecular weight of 223.06 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(dimethoxymethyl)pyrimidine is sourced from PubChem (CID 165406605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).