2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C10H13N3O — CID 114740598

IUPAC2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1nc(C2CCCO2)nc2c1CNC2
InChIInChI=1S/C10H13N3O/c1-2-9(14-3-1)10-12-5-7-4-11-6-8(7)13-10/h5,9,11H,1-4,6H2
InChIKeySULJEXUKOQDXRD-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.93
Rot. Bonds1

About 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740598) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740598
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1nc(C2CCCO2)nc2c1CNC2
InChIInChI=1S/C10H13N3O/c1-2-9(14-3-1)10-12-5-7-4-11-6-8(7)13-10/h5,9,11H,1-4,6H2
InChIKeySULJEXUKOQDXRD-UHFFFAOYSA-N
XLogP0.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423847
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740565
5-(aminomethyl)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65330538
2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115025453
4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine
CID 130494146
[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
CID 65328893
N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206491
2-(oxan-2-yl)pyrimidin-5-amine
CID 126971971
2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115030908
N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 114206879
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738356

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740598) is 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is c1nc(C2CCCO2)nc2c1CNC2.
What is the InChIKey of 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is SULJEXUKOQDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-9(14-3-1)10-12-5-7-4-11-6-8(7)13-10/h5,9,11H,1-4,6H2.
What are the key properties of 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 191.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).