1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine

C12H17N3 — CID 59016922

IUPAC1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine
SMILESCc1nc(C)n2c(N)c(C)c(C)c2c1C
InChIInChI=1S/C12H17N3/c1-6-7(2)12(13)15-10(5)14-9(4)8(3)11(6)15/h13H2,1-5H3
InChIKeyZQOSZRSAJRMTSU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.46
Rot. Bonds

About 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine

1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine (PubChem CID 59016922) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine
PubChem CID59016922
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine
SMILESCc1nc(C)n2c(N)c(C)c(C)c2c1C
InChIInChI=1S/C12H17N3/c1-6-7(2)12(13)15-10(5)14-9(4)8(3)11(6)15/h13H2,1-5H3
InChIKeyZQOSZRSAJRMTSU-UHFFFAOYSA-N
XLogP2.46
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine?
The IUPAC name of 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine (CID 59016922) is 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine.
What is the SMILES notation for 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine?
The canonical SMILES for 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine is Cc1nc(C)n2c(N)c(C)c(C)c2c1C.
What is the InChIKey of 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine?
The InChIKey is ZQOSZRSAJRMTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-6-7(2)12(13)15-10(5)14-9(4)8(3)11(6)15/h13H2,1-5H3.
What are the key properties of 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine?
1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine has a molecular weight of 203.29 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-pentamethylpyrrolo[1,2-c]pyrimidin-7-amine is sourced from PubChem (CID 59016922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).