2-cyclohexyl-4-(dimethoxymethyl)pyrimidine

C13H20N2O2 — CID 115531674

IUPAC2-cyclohexyl-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2CCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-16-13(17-2)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeySAVCWNQZBYNIKT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.82
Rot. Bonds4

About 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine

2-cyclohexyl-4-(dimethoxymethyl)pyrimidine (PubChem CID 115531674) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-4-(dimethoxymethyl)pyrimidine
PubChem CID115531674
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-cyclohexyl-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(C2CCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-16-13(17-2)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeySAVCWNQZBYNIKT-UHFFFAOYSA-N
XLogP2.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.82
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

3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 115998463
2-(2,3-dihydro-1H-inden-2-yl)-4-(dimethoxymethyl)pyrimidine
CID 115531721
2-cyclododecyl-4-ethylpyrimidine
CID 134492338
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
CID 116778439
(2-cyclohexylpyrimidin-4-yl)hydrazine
CID 62251636
sodium 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
CID 22722063
2-cyclopentyl-4-(dimethoxymethyl)pyridine
CID 174876576
1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
CID 62747376
diethyl 2-[(R)-cyclohexyl-[[4-(dimethoxymethyl)pyrimidin-2-yl]amino]methyl]propanedioate
CID 177432735
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496
2-cyclobutylpyrimidine-4-carboxamide
CID 67177134

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine?
The IUPAC name of 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine (CID 115531674) is 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine.
What is the SMILES notation for 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine?
The canonical SMILES for 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine is COC(OC)c1ccnc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine?
The InChIKey is SAVCWNQZBYNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-13(17-2)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine?
2-cyclohexyl-4-(dimethoxymethyl)pyrimidine has a molecular weight of 236.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(dimethoxymethyl)pyrimidine is sourced from PubChem (CID 115531674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).