4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine

C19H26N2O3 — CID 67839148

IUPAC4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine
SMILESCOCc1ncnc(OCCc2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C19H26N2O3/c1-19(2,3)15-8-6-14(7-9-15)10-11-24-18-17(23-5)16(12-22-4)20-13-21-18/h6-9,13H,10-12H2,1-5H3
InChIKeyAAFKKLOZNVPJMA-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.55
Rot. Bonds7

About 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine

4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine (PubChem CID 67839148) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine
PubChem CID67839148
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine
SMILESCOCc1ncnc(OCCc2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C19H26N2O3/c1-19(2,3)15-8-6-14(7-9-15)10-11-24-18-17(23-5)16(12-22-4)20-13-21-18/h6-9,13H,10-12H2,1-5H3
InChIKeyAAFKKLOZNVPJMA-UHFFFAOYSA-N
XLogP3.55
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine
CID 71341854
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
2-(4-tert-butylphenyl)ethyl-trimethoxysilane
CID 139668437
4-[2-(4-tert-butylphenyl)ethoxy]-2-(18F)fluoroquinazoline
CID 11347876
5-chloro-4-methoxy-6-(methoxymethyl)pyrimidine
CID 129090872
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
CID 59678692
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
CID 54258705
4-(2-quinazolin-4-yloxyethyl)benzonitrile
CID 67619603
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561380
3-(4-tert-butylphenyl)propanal
CID 87303470

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine (CID 67839148) is 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine is COCc1ncnc(OCCc2ccc(C(C)(C)C)cc2)c1OC.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine?
The InChIKey is AAFKKLOZNVPJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)15-8-6-14(7-9-15)10-11-24-18-17(23-5)16(12-22-4)20-13-21-18/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine?
4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine has a molecular weight of 330.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethoxy]-5-methoxy-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 67839148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).