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

C12H18N4O — CID 83850693

IUPAC4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESO=c1nc(CCN2CCCC2)c2c([nH]1)CNC2
InChIInChI=1S/C12H18N4O/c17-12-14-10(3-6-16-4-1-2-5-16)9-7-13-8-11(9)15-12/h13H,1-8H2,(H,14,15,17)
InChIKeyAXAMDFSDGPVNFX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.01
Rot. Bonds3

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

4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83850693) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83850693
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESO=c1nc(CCN2CCCC2)c2c([nH]1)CNC2
InChIInChI=1S/C12H18N4O/c17-12-14-10(3-6-16-4-1-2-5-16)9-7-13-8-11(9)15-12/h13H,1-8H2,(H,14,15,17)
InChIKeyAXAMDFSDGPVNFX-UHFFFAOYSA-N
XLogP0.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (CID 83850693) is 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is O=c1nc(CCN2CCCC2)c2c([nH]1)CNC2.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is AXAMDFSDGPVNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-14-10(3-6-16-4-1-2-5-16)9-7-13-8-11(9)15-12/h13H,1-8H2,(H,14,15,17).
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83850693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).