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

C8H12N4O — CID 83862277

IUPAC4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESNCCc1nc(=O)[nH]c2c1CNC2
InChIInChI=1S/C8H12N4O/c9-2-1-6-5-3-10-4-7(5)12-8(13)11-6/h10H,1-4,9H2,(H,11,12,13)
InChIKeyFLAXWDVYQNCFOK-UHFFFAOYSA-N
MW180.21 g/mol
LogP-1.13
Rot. Bonds2

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

4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83862277) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83862277
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESNCCc1nc(=O)[nH]c2c1CNC2
InChIInChI=1S/C8H12N4O/c9-2-1-6-5-3-10-4-7(5)12-8(13)11-6/h10H,1-4,9H2,(H,11,12,13)
InChIKeyFLAXWDVYQNCFOK-UHFFFAOYSA-N
XLogP-1.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (CID 83862277) is 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is NCCc1nc(=O)[nH]c2c1CNC2.
What is the InChIKey of 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is FLAXWDVYQNCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-2-1-6-5-3-10-4-7(5)12-8(13)11-6/h10H,1-4,9H2,(H,11,12,13).
What are the key properties of 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).