2-amino-1,4,5,7-tetrahydropurin-6-one

C5H7N5O — CID 3303015

IUPAC2-amino-1,4,5,7-tetrahydropurin-6-one
SMILESNC1=NC2N=CNC2C(=O)N1
InChIInChI=1S/C5H7N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1-3H,(H,7,8)(H3,6,9,10,11)
InChIKeyORSFRSRYZSZSIU-UHFFFAOYSA-N
MW153.14 g/mol
LogP-2.24
Rot. Bonds

About 2-amino-1,4,5,7-tetrahydropurin-6-one

2-amino-1,4,5,7-tetrahydropurin-6-one (PubChem CID 3303015) has the molecular formula C5H7N5O and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-amino-1,4,5,7-tetrahydropurin-6-one.

Molecular Properties

Compound Name2-amino-1,4,5,7-tetrahydropurin-6-one
PubChem CID3303015
Molecular FormulaC5H7N5O
Molecular Weight153.14 g/mol
Exact Mass153.07
IUPAC Name2-amino-1,4,5,7-tetrahydropurin-6-one
SMILESNC1=NC2N=CNC2C(=O)N1
InChIInChI=1S/C5H7N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1-3H,(H,7,8)(H3,6,9,10,11)
InChIKeyORSFRSRYZSZSIU-UHFFFAOYSA-N
XLogP-2.24
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4,5,7-tetrahydropurin-6-one?
The IUPAC name of 2-amino-1,4,5,7-tetrahydropurin-6-one (CID 3303015) is 2-amino-1,4,5,7-tetrahydropurin-6-one.
What is the SMILES notation for 2-amino-1,4,5,7-tetrahydropurin-6-one?
The canonical SMILES for 2-amino-1,4,5,7-tetrahydropurin-6-one is NC1=NC2N=CNC2C(=O)N1.
What is the InChIKey of 2-amino-1,4,5,7-tetrahydropurin-6-one?
The InChIKey is ORSFRSRYZSZSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1-3H,(H,7,8)(H3,6,9,10,11).
What are the key properties of 2-amino-1,4,5,7-tetrahydropurin-6-one?
2-amino-1,4,5,7-tetrahydropurin-6-one has a molecular weight of 153.14 g/mol, XLogP of -2.24, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4,5,7-tetrahydropurin-6-one is sourced from PubChem (CID 3303015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).