2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane

C8H15N5O — CID 143940679

IUPAC2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane
SMILESCC.Nc1nc2c(c(=O)[nH]1)CN(N)C2
InChIInChI=1S/C6H9N5O.C2H6/c7-6-9-4-2-11(8)1-3(4)5(12)10-6;1-2/h1-2,8H2,(H3,7,9,10,12);1-2H3
InChIKeyFOJHBNANSUPRCG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.43
Rot. Bonds

About 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane

2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane (PubChem CID 143940679) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane
PubChem CID143940679
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane
SMILESCC.Nc1nc2c(c(=O)[nH]1)CN(N)C2
InChIInChI=1S/C6H9N5O.C2H6/c7-6-9-4-2-11(8)1-3(4)5(12)10-6;1-2/h1-2,8H2,(H3,7,9,10,12);1-2H3
InChIKeyFOJHBNANSUPRCG-UHFFFAOYSA-N
XLogP-0.43
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane?
The IUPAC name of 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane (CID 143940679) is 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane?
The canonical SMILES for 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane is CC.Nc1nc2c(c(=O)[nH]1)CN(N)C2.
What is the InChIKey of 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane?
The InChIKey is FOJHBNANSUPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O.C2H6/c7-6-9-4-2-11(8)1-3(4)5(12)10-6;1-2/h1-2,8H2,(H3,7,9,10,12);1-2H3.
What are the key properties of 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane?
2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane has a molecular weight of 197.24 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 143940679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).