2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine

C13H12Cl2N2O2 — CID 114015736

IUPAC2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2O2/c1-18-13(19-2)11-3-4-16-12(17-11)8-5-9(14)7-10(15)6-8/h3-7,13H,1-2H3
InChIKeyGAIUKPLUHZKQMR-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.74
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine

2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine (PubChem CID 114015736) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
PubChem CID114015736
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N2O2/c1-18-13(19-2)11-3-4-16-12(17-11)8-5-9(14)7-10(15)6-8/h3-7,13H,1-2H3
InChIKeyGAIUKPLUHZKQMR-UHFFFAOYSA-N
XLogP3.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.74
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-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 115531652
4-(dimethoxymethyl)-2-phenylpyrimidine
CID 79020331
4-(dimethoxymethyl)-2-(3-methoxyphenyl)pyrimidine
CID 113329743
3-[4-(dimethoxymethyl)pyrimidin-2-yl]phenol
CID 114016157
4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine
CID 104790809
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 62201542
[4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] 4-fluorobenzoate
CID 1491142
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
4-(1-methoxyethyl)-2-phenylpyrimidine
CID 141154536
sodium 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
CID 22722063
4-(dimethoxymethyl)-2-(2-nitrophenyl)pyrimidine
CID 115531749

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine?
The IUPAC name of 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine (CID 114015736) is 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine is COC(OC)c1ccnc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine?
The InChIKey is GAIUKPLUHZKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-18-13(19-2)11-3-4-16-12(17-11)8-5-9(14)7-10(15)6-8/h3-7,13H,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine?
2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine has a molecular weight of 299.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine is sourced from PubChem (CID 114015736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).