(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate

C8H14N4O2 — CID 91517669

IUPAC(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate
SMILESCC(=O)ON1CCCN2C(N)=NCC12
InChIInChI=1S/C8H14N4O2/c1-6(13)14-12-4-2-3-11-7(12)5-10-8(11)9/h7H,2-5H2,1H3,(H2,9,10)
InChIKeyPSKQKABMSRPCBK-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.87
Rot. Bonds1

About (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate

(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate (PubChem CID 91517669) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate.

Molecular Properties

Compound Name(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate
PubChem CID91517669
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate
SMILESCC(=O)ON1CCCN2C(N)=NCC12
InChIInChI=1S/C8H14N4O2/c1-6(13)14-12-4-2-3-11-7(12)5-10-8(11)9/h7H,2-5H2,1H3,(H2,9,10)
InChIKeyPSKQKABMSRPCBK-UHFFFAOYSA-N
XLogP-0.87
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate?
The IUPAC name of (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate (CID 91517669) is (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate.
What is the SMILES notation for (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate?
The canonical SMILES for (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate is CC(=O)ON1CCCN2C(N)=NCC12.
What is the InChIKey of (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate?
The InChIKey is PSKQKABMSRPCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(13)14-12-4-2-3-11-7(12)5-10-8(11)9/h7H,2-5H2,1H3,(H2,9,10).
What are the key properties of (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate?
(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate has a molecular weight of 198.23 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate is sourced from PubChem (CID 91517669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).