5-tert-butyl-2-(ethoxymethyl)pyrimidine

C11H18N2O — CID 165371921

IUPAC5-tert-butyl-2-(ethoxymethyl)pyrimidine
SMILESCCOCc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-5-14-8-10-12-6-9(7-13-10)11(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyBVRCHPQZKAGPAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.31
Rot. Bonds3

About 5-tert-butyl-2-(ethoxymethyl)pyrimidine

5-tert-butyl-2-(ethoxymethyl)pyrimidine (PubChem CID 165371921) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-tert-butyl-2-(ethoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-(ethoxymethyl)pyrimidine
PubChem CID165371921
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-tert-butyl-2-(ethoxymethyl)pyrimidine
SMILESCCOCc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-5-14-8-10-12-6-9(7-13-10)11(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyBVRCHPQZKAGPAQ-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-5-iodopyrimidin-4-amine
CID 66303101
2-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263070
2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66303519
1-(5-tert-butylpyrimidin-2-yl)propan-2-one
CID 165372273
tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
CID 158312232
2-(ethoxymethyl)-1,5-dimethylimidazole
CID 117188439
2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide
CID 88917931
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
CID 170179546
2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine
CID 134581621
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(ethoxymethyl)pyrimidine?
The IUPAC name of 5-tert-butyl-2-(ethoxymethyl)pyrimidine (CID 165371921) is 5-tert-butyl-2-(ethoxymethyl)pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-(ethoxymethyl)pyrimidine?
The canonical SMILES for 5-tert-butyl-2-(ethoxymethyl)pyrimidine is CCOCc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(ethoxymethyl)pyrimidine?
The InChIKey is BVRCHPQZKAGPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-14-8-10-12-6-9(7-13-10)11(2,3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(ethoxymethyl)pyrimidine?
5-tert-butyl-2-(ethoxymethyl)pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(ethoxymethyl)pyrimidine is sourced from PubChem (CID 165371921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).