2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H14N4OS — CID 135552944

IUPAC2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
InChIKeyYYFKQPPPFQYGFO-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.27
Rot. Bonds2

About 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135552944) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135552944
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
InChIKeyYYFKQPPPFQYGFO-UHFFFAOYSA-N
XLogP1.27
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one 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 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135552944) is 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is YYFKQPPPFQYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16).
What are the key properties of 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 250.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(thiolan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135552944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).