4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine

C13H20N2O — CID 134857303

IUPAC4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine
SMILESC=CCc1nc(C)c(OC)c(C(C)(C)C)n1
InChIInChI=1S/C13H20N2O/c1-7-8-10-14-9(2)11(16-6)12(15-10)13(3,4)5/h7H,1,8H2,2-6H3
InChIKeyFTSJAARSCXBDSK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.82
Rot. Bonds3

About 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine

4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine (PubChem CID 134857303) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine
PubChem CID134857303
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine
SMILESC=CCc1nc(C)c(OC)c(C(C)(C)C)n1
InChIInChI=1S/C13H20N2O/c1-7-8-10-14-9(2)11(16-6)12(15-10)13(3,4)5/h7H,1,8H2,2-6H3
InChIKeyFTSJAARSCXBDSK-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5,6-trimethyl-2-prop-2-enylpyrimidine
CID 174547893
2,4-dimethyl-6-prop-2-enyl-1,3,5-triazine
CID 122595292
4-tert-butyl-2-ethenyl-5-methoxy-6-methyl-1-oxidopyrimidin-1-ium
CID 135040220
4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 58549929
5-tert-butyl-2-methoxy-N,3-dimethyl-N-prop-2-enylaniline
CID 58367027
2,5-ditert-butyl-3,6-dimethylpyrazine
CID 143714636
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
CID 11449702
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
2-tert-butyl-6-ethynyl-5-iodo-3,4-dimethoxypyridine
CID 71480751
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine?
The IUPAC name of 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine (CID 134857303) is 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine.
What is the SMILES notation for 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine?
The canonical SMILES for 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine is C=CCc1nc(C)c(OC)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine?
The InChIKey is FTSJAARSCXBDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-7-8-10-14-9(2)11(16-6)12(15-10)13(3,4)5/h7H,1,8H2,2-6H3.
What are the key properties of 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine?
4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine has a molecular weight of 220.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methoxy-6-methyl-2-prop-2-enylpyrimidine is sourced from PubChem (CID 134857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).