4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine

C12H14N2O3 — CID 104790809

IUPAC4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine
SMILESCOC(OC)c1ccnc(-c2ccoc2C)n1
InChIInChI=1S/C12H14N2O3/c1-8-9(5-7-17-8)11-13-6-4-10(14-11)12(15-2)16-3/h4-7,12H,1-3H3
InChIKeyXUMLGDVWWLFQNZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.34
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine

4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine (PubChem CID 104790809) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine
PubChem CID104790809
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine
SMILESCOC(OC)c1ccnc(-c2ccoc2C)n1
InChIInChI=1S/C12H14N2O3/c1-8-9(5-7-17-8)11-13-6-4-10(14-11)12(15-2)16-3/h4-7,12H,1-3H3
InChIKeyXUMLGDVWWLFQNZ-UHFFFAOYSA-N
XLogP2.34
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenylpyrimidine
CID 79020331
2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
CID 114015736
4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 115531652
4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791061
sodium 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
CID 22722063
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790716
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
CID 55262615
2-cyclohexyl-4-(dimethoxymethyl)pyrimidine
CID 115531674
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine (CID 104790809) is 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine is COC(OC)c1ccnc(-c2ccoc2C)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine?
The InChIKey is XUMLGDVWWLFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-9(5-7-17-8)11-13-6-4-10(14-11)12(15-2)16-3/h4-7,12H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine?
4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine has a molecular weight of 234.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2-methylfuran-3-yl)pyrimidine is sourced from PubChem (CID 104790809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).