2-amino-3H-furo[2,3-d]pyrimidin-4-one

C6H5N3O2 — CID 13302347

IUPAC2-amino-3H-furo[2,3-d]pyrimidin-4-one
SMILESNc1nc2occc2c(=O)[nH]1
InChIInChI=1S/C6H5N3O2/c7-6-8-4(10)3-1-2-11-5(3)9-6/h1-2H,(H3,7,8,9,10)
InChIKeyPVTIXLGKSHTATQ-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.10
Rot. Bonds

About 2-amino-3H-furo[2,3-d]pyrimidin-4-one

2-amino-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 13302347) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-amino-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID13302347
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-amino-3H-furo[2,3-d]pyrimidin-4-one
SMILESNc1nc2occc2c(=O)[nH]1
InChIInChI=1S/C6H5N3O2/c7-6-8-4(10)3-1-2-11-5(3)9-6/h1-2H,(H3,7,8,9,10)
InChIKeyPVTIXLGKSHTATQ-UHFFFAOYSA-N
XLogP0.10
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3H-furo[2,3-d]pyrimidin-4-one (CID 13302347) is 2-amino-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3H-furo[2,3-d]pyrimidin-4-one is Nc1nc2occc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is PVTIXLGKSHTATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c7-6-8-4(10)3-1-2-11-5(3)9-6/h1-2H,(H3,7,8,9,10).
What are the key properties of 2-amino-3H-furo[2,3-d]pyrimidin-4-one?
2-amino-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 151.12 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 13302347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).