2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C6H8N4O — CID 135740415

IUPAC2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C6H8N4O/c7-6-9-4-2-8-1-3(4)5(11)10-6/h8H,1-2H2,(H3,7,9,10,11)
InChIKeyKHPNYEPELRXVDI-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.04
Rot. Bonds

About 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 135740415) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID135740415
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C6H8N4O/c7-6-9-4-2-8-1-3(4)5(11)10-6/h8H,1-2H2,(H3,7,9,10,11)
InChIKeyKHPNYEPELRXVDI-UHFFFAOYSA-N
XLogP-1.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 135740415) is 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is KHPNYEPELRXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-6-9-4-2-8-1-3(4)5(11)10-6/h8H,1-2H2,(H3,7,9,10,11).
What are the key properties of 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 152.16 g/mol, XLogP of -1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135740415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).