2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine

C7H7Cl3N2O2 — CID 167497568

IUPAC2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl3N2O2/c1-13-6(14-2)3-4(8)11-7(10)12-5(3)9/h6H,1-2H3
InChIKeyOCJXERIYOCNZER-UHFFFAOYSA-N
MW257.50 g/mol
LogP2.73
Rot. Bonds3

About 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine

2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine (PubChem CID 167497568) has the molecular formula C7H7Cl3N2O2 and a molecular weight of 257.50 g/mol. Its IUPAC name is 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine
PubChem CID167497568
Molecular FormulaC7H7Cl3N2O2
Molecular Weight257.50 g/mol
Exact Mass255.96
IUPAC Name2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl3N2O2/c1-13-6(14-2)3-4(8)11-7(10)12-5(3)9/h6H,1-2H3
InChIKeyOCJXERIYOCNZER-UHFFFAOYSA-N
XLogP2.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.50
LogP ≤ 52.73
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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Related Compounds

4,6-Dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
CID 59594440
2,4,6-Trichloro-5-(1,3-dioxolan-2-yl)pyrimidine
CID 58075387
4,6-Dichloro-5-(4-methyl-1,3-dioxetan-2-yl)-2-methylsulfanylpyrimidine
CID 88408710
4,6-Dichloro-5-(methoxymethyl)-2-methylpyrimidine
CID 138501748
4,6-Dichloro-5-(1,3-dioxolan-2-yl)-2-methylpyrimidine
CID 138750676
2,4-Dichloro-5-(dimethoxymethyl)pyrimidine
CID 139536241
4,6-Dichloro-5-(1,3-dioxol-2-yl)pyrimidine
CID 141107711
2,4,6-Trichloro-5-(1,3-dioxol-2-yl)pyrimidine
CID 141289893
(4,6-Dichloro-2-methylpyrimidin-5-yl)methyl acetate
CID 149941869
4,6-Dichloro-5-(1,3-dioxan-2-yl)pyrimidine
CID 156784634
4,6-Dichloro-5-(1,3-dioxol-2-yl)-2-methylpyrimidine
CID 163362169
4,6-Dichloro-5-(dimethoxymethyl)pyrimidine
CID 165406605

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine?
The IUPAC name of 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine (CID 167497568) is 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine is COC(OC)c1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine?
The InChIKey is OCJXERIYOCNZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3N2O2/c1-13-6(14-2)3-4(8)11-7(10)12-5(3)9/h6H,1-2H3.
What are the key properties of 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine?
2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine has a molecular weight of 257.50 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-(dimethoxymethyl)pyrimidine is sourced from PubChem (CID 167497568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).