2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C10H13N3O2 — CID 136941409

IUPAC2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCOC2)nc2c1CNC2
InChIInChI=1S/C10H13N3O2/c14-10-7-3-11-4-8(7)12-9(13-10)6-1-2-15-5-6/h6,11H,1-5H2,(H,12,13,14)
InChIKeyVPDUODMPCWRZOR-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.12
Rot. Bonds1

About 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941409) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941409
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCOC2)nc2c1CNC2
InChIInChI=1S/C10H13N3O2/c14-10-7-3-11-4-8(7)12-9(13-10)6-1-2-15-5-6/h6,11H,1-5H2,(H,12,13,14)
InChIKeyVPDUODMPCWRZOR-UHFFFAOYSA-N
XLogP-0.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-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

Related Compounds

2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136842552
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 137012999
4,5-dimethyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136035552
4-(aminomethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136274167
4-(methylaminomethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136274168
4-(ethylaminomethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136274169
2-(oxolan-3-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274170
4-[(2-methylpropylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136274174
5-(aminomethyl)-4-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 136314599
2-(2-Ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136745822
2-[2-(2-Methoxyethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136780949
2-(oxolan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941065

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941409) is 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCOC2)nc2c1CNC2.
What is the InChIKey of 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is VPDUODMPCWRZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10-7-3-11-4-8(7)12-9(13-10)6-1-2-15-5-6/h6,11H,1-5H2,(H,12,13,14).
What are the key properties of 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).