3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one

C11H14N2O — CID 59876761

IUPAC3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCC1=C(C)c2nc(=O)c(C)c(C)n2C1
InChIInChI=1S/C11H14N2O/c1-6-5-13-9(4)8(3)11(14)12-10(13)7(6)2/h5H2,1-4H3
InChIKeyVDKOAMGLRHIAEO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds

About 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one

3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 59876761) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID59876761
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCC1=C(C)c2nc(=O)c(C)c(C)n2C1
InChIInChI=1S/C11H14N2O/c1-6-5-13-9(4)8(3)11(14)12-10(13)7(6)2/h5H2,1-4H3
InChIKeyVDKOAMGLRHIAEO-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 59284045
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
1,2,5,6-Tetramethylpyrimidin-4-one
CID 58821037
2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 59119712
2,3,5,6-Tetramethyl-1-propan-2-ylpyrimidin-1-ium-4-one
CID 59338933
2,5,6-Trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
2,3-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 67475081
1,2,3,5,6-Pentamethylpyrazolo[1,5-a]pyrimidin-7-one
CID 89565723
6-Ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 132046289
2-Ethyl-5,6-dimethyl-3-propylpyrimidin-4-one
CID 141792048
2,3-Diethyl-5,6-dimethylpyrimidin-4-one;ethane
CID 141792053

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 59876761) is 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one is CC1=C(C)c2nc(=O)c(C)c(C)n2C1.
What is the InChIKey of 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is VDKOAMGLRHIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-5-13-9(4)8(3)11(14)12-10(13)7(6)2/h5H2,1-4H3.
What are the key properties of 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one?
3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 59876761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).