2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

C12H13N3 — CID 3597295

IUPAC2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
SMILESCc1cc(C)n2c(C)c(C)c(C#N)c2n1
InChIInChI=1S/C12H13N3/c1-7-5-8(2)15-10(4)9(3)11(6-13)12(15)14-7/h5H,1-4H3
InChIKeyMRUPUWWMINETCA-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.44
Rot. Bonds

About 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile (PubChem CID 3597295) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
PubChem CID3597295
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
SMILESCc1cc(C)n2c(C)c(C)c(C#N)c2n1
InChIInChI=1S/C12H13N3/c1-7-5-8(2)15-10(4)9(3)11(6-13)12(15)14-7/h5H,1-4H3
InChIKeyMRUPUWWMINETCA-UHFFFAOYSA-N
XLogP2.44
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
The IUPAC name of 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile (CID 3597295) is 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile.
What is the SMILES notation for 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
The canonical SMILES for 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile is Cc1cc(C)n2c(C)c(C)c(C#N)c2n1.
What is the InChIKey of 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
The InChIKey is MRUPUWWMINETCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-7-5-8(2)15-10(4)9(3)11(6-13)12(15)14-7/h5H,1-4H3.
What are the key properties of 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile?
2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetramethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile is sourced from PubChem (CID 3597295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).