2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine

C12H16N2 — CID 59016895

IUPAC2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine
SMILESCc1cc2nc(C)c(C)c(C)n2c1C
InChIInChI=1S/C12H16N2/c1-7-6-12-13-9(3)8(2)11(5)14(12)10(7)4/h6H,1-5H3
InChIKeyJFIBHBRJMAKSPC-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds

About 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine

2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine (PubChem CID 59016895) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine
PubChem CID59016895
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine
SMILESCc1cc2nc(C)c(C)c(C)n2c1C
InChIInChI=1S/C12H16N2/c1-7-6-12-13-9(3)8(2)11(5)14(12)10(7)4/h6H,1-5H3
InChIKeyJFIBHBRJMAKSPC-UHFFFAOYSA-N
XLogP2.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine?
The IUPAC name of 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine (CID 59016895) is 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine is Cc1cc2nc(C)c(C)c(C)n2c1C.
What is the InChIKey of 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine?
The InChIKey is JFIBHBRJMAKSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7-6-12-13-9(3)8(2)11(5)14(12)10(7)4/h6H,1-5H3.
What are the key properties of 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine?
2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7-pentamethylpyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 59016895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).