6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine

C11H10N4 — CID 175672783

IUPAC6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine
SMILESNc1cc2ncccn2c1-n1cccc1
InChIInChI=1S/C11H10N4/c12-9-8-10-13-4-3-7-15(10)11(9)14-5-1-2-6-14/h1-8H,12H2
InChIKeyYJQRBHFJHXFFBU-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.71
Rot. Bonds1

About 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine

6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine (PubChem CID 175672783) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine
PubChem CID175672783
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine
SMILESNc1cc2ncccn2c1-n1cccc1
InChIInChI=1S/C11H10N4/c12-9-8-10-13-4-3-7-15(10)11(9)14-5-1-2-6-14/h1-8H,12H2
InChIKeyYJQRBHFJHXFFBU-UHFFFAOYSA-N
XLogP1.71
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine (CID 175672783) is 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine is Nc1cc2ncccn2c1-n1cccc1.
What is the InChIKey of 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine?
The InChIKey is YJQRBHFJHXFFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-9-8-10-13-4-3-7-15(10)11(9)14-5-1-2-6-14/h1-8H,12H2.
What are the key properties of 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine?
6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine has a molecular weight of 198.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 175672783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).