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

C11H14N2O — CID 59119712

IUPAC2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1=C(C)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C11H14N2O/c1-6-5-13-10(7(6)2)12-9(4)8(3)11(13)14/h5H2,1-4H3
InChIKeyPVDHXZYNXWFHLZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds

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

2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 59119712) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID59119712
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1=C(C)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C11H14N2O/c1-6-5-13-10(7(6)2)12-9(4)8(3)11(13)14/h5H2,1-4H3
InChIKeyPVDHXZYNXWFHLZ-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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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 59119712) is 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC1=C(C)c2nc(C)c(C)c(=O)n2C1.
What is the InChIKey of 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is PVDHXZYNXWFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-5-13-10(7(6)2)12-9(4)8(3)11(13)14/h5H2,1-4H3.
What are the key properties of 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-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 2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59119712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).