4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine

C20H28N2O3 — CID 23216567

IUPAC4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine
SMILESCCOC(CC)Oc1nc(C)nc(Oc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C20H28N2O3/c1-8-17(23-9-2)24-19-15(6)20(22-16(7)21-19)25-18-13(4)10-12(3)11-14(18)5/h10-11,17H,8-9H2,1-7H3
InChIKeyRSALPGXZGRYHAZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.96
Rot. Bonds7

About 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine

4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine (PubChem CID 23216567) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine
PubChem CID23216567
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine
SMILESCCOC(CC)Oc1nc(C)nc(Oc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C20H28N2O3/c1-8-17(23-9-2)24-19-15(6)20(22-16(7)21-19)25-18-13(4)10-12(3)11-14(18)5/h10-11,17H,8-9H2,1-7H3
InChIKeyRSALPGXZGRYHAZ-UHFFFAOYSA-N
XLogP4.96
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.96
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-(3-deuteriopentan-3-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 56980443
2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
CID 146004844
6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 86759589
N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
CID 22603175
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 139568782
4-ethyl-2,5-dimethyl-6-propan-2-yloxypyrimidine
CID 91161320
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
3,6-dimethyl-1-pentan-3-yl-4-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 22253373
6-methyl-4-pentan-3-yl-8-(2,4,6-trimethylphenoxy)-1,7-naphthyridine
CID 18386670
2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
CID 163248709
2-(2,2-diethoxyethoxy)-1,5-dimethyl-3-nitrobenzene
CID 63628413

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine?
The IUPAC name of 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine (CID 23216567) is 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine.
What is the SMILES notation for 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine?
The canonical SMILES for 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine is CCOC(CC)Oc1nc(C)nc(Oc2c(C)cc(C)cc2C)c1C.
What is the InChIKey of 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine?
The InChIKey is RSALPGXZGRYHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-8-17(23-9-2)24-19-15(6)20(22-16(7)21-19)25-18-13(4)10-12(3)11-14(18)5/h10-11,17H,8-9H2,1-7H3.
What are the key properties of 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine?
4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine has a molecular weight of 344.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropoxy)-2,5-dimethyl-6-(2,4,6-trimethylphenoxy)pyrimidine is sourced from PubChem (CID 23216567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).