4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one

C11H15N3O2 — CID 83849665

IUPAC4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESO=c1nc(C2CCCOC2)c2c([nH]1)CNC2
InChIInChI=1S/C11H15N3O2/c15-11-13-9-5-12-4-8(9)10(14-11)7-2-1-3-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyGOFMJXBUSZHKJG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.27
Rot. Bonds1

About 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one

4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83849665) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83849665
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESO=c1nc(C2CCCOC2)c2c([nH]1)CNC2
InChIInChI=1S/C11H15N3O2/c15-11-13-9-5-12-4-8(9)10(14-11)7-2-1-3-16-6-7/h7,12H,1-6H2,(H,13,14,15)
InChIKeyGOFMJXBUSZHKJG-UHFFFAOYSA-N
XLogP0.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-3-yl)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83850759
2-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83850597
4-(oxan-4-ylmethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
CID 83850756
methyl 2-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738159
4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
CID 83850693
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
4-morpholin-3-yl-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 83870267
8-(4-fluorophenyl)-7-(oxan-3-yl)-2-prop-2-ynylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 171806636
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
6-(oxan-3-yl)-1H-pyridin-2-one
CID 172992133
2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115026773
5-bromo-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 66315122

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (CID 83849665) is 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is O=c1nc(C2CCCOC2)c2c([nH]1)CNC2.
What is the InChIKey of 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is GOFMJXBUSZHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-13-9-5-12-4-8(9)10(14-11)7-2-1-3-16-6-7/h7,12H,1-6H2,(H,13,14,15).
What are the key properties of 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83849665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).