5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one

C12H20N2O — CID 155349023

IUPAC5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1c(C(C)(C)C)c(=O)ncn1C
InChIInChI=1S/C12H20N2O/c1-8(2)10-9(12(3,4)5)11(15)13-7-14(10)6/h7-8H,1-6H3
InChIKeyUBOYDYXEBCUJRM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.20
Rot. Bonds1

About 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one

5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one (PubChem CID 155349023) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one
PubChem CID155349023
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1c(C(C)(C)C)c(=O)ncn1C
InChIInChI=1S/C12H20N2O/c1-8(2)10-9(12(3,4)5)11(15)13-7-14(10)6/h7-8H,1-6H3
InChIKeyUBOYDYXEBCUJRM-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
6-tert-butyl-1,4,5,7-tetramethylbenzimidazole
CID 159976896
6-chloro-5-fluoro-1-methylpyrimidin-4-one
CID 133060288
5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one
CID 165470590
4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine
CID 146618056
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine
CID 142466710
3-(3-methyl-5-nitroimidazol-4-yl)pentan-2-ol
CID 63201536
4-ethyl-1-methyl-6-propan-2-ylbenzimidazole
CID 129263193
1,3,7-trimethylpurine-2,6-dione
CID 131953138
5-(2-chloro-4-methylpentan-3-yl)-1-methyl-4-nitroimidazole
CID 63205580
3,7-dimethyl-8,9-dihydropurin-6-one
CID 174323807

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one (CID 155349023) is 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one is CC(C)c1c(C(C)(C)C)c(=O)ncn1C.
What is the InChIKey of 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one?
The InChIKey is UBOYDYXEBCUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)10-9(12(3,4)5)11(15)13-7-14(10)6/h7-8H,1-6H3.
What are the key properties of 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one?
5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one has a molecular weight of 208.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 155349023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).