5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one

C11H18N2O2 — CID 151638110

IUPAC5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(C)c(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-7-9(11(2,3)4)10(14)13-8(12-7)6-15-5/h6H2,1-5H3,(H,12,13,14)
InChIKeyQRYBUUVPKBNGLV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.52
Rot. Bonds2

About 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one

5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 151638110) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID151638110
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(C)c(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-7-9(11(2,3)4)10(14)13-8(12-7)6-15-5/h6H2,1-5H3,(H,12,13,14)
InChIKeyQRYBUUVPKBNGLV-UHFFFAOYSA-N
XLogP1.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890411
5-ethyl-4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890412
4-methyl-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890419
4-ethyl-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890424
4-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136967813
4,5-ditert-butyl-2-methyl-1H-pyrimidin-6-one
CID 135765432
5-tert-butyl-2,4-dimethyl-1H-pyrimidin-6-one
CID 136028591
5-isopropyl-2-(methoxymethyl)-6-methylpyrimidin-4(3H)-one
CID 136064349
4-tert-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136140592
2-(methoxymethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136140595
5-ethyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 136140596
2-(ethoxymethyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136233877

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one (CID 151638110) is 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one is COCc1nc(C)c(C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QRYBUUVPKBNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-9(11(2,3)4)10(14)13-8(12-7)6-15-5/h6H2,1-5H3,(H,12,13,14).
What are the key properties of 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one?
5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 151638110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).