2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one

C9H8N4O3 — CID 23875619

IUPAC2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(/N=C/c2ccoc2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O3/c10-9-12-7(14)6(8(15)13-9)11-3-5-1-2-16-4-5/h1-4H,(H4,10,12,13,14,15)/b11-3+
InChIKeyWGEHVGDDQJFDKM-QDEBKDIKSA-N
MW220.19 g/mol
LogP0.40
Rot. Bonds2

About 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 23875619) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID23875619
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(/N=C/c2ccoc2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O3/c10-9-12-7(14)6(8(15)13-9)11-3-5-1-2-16-4-5/h1-4H,(H4,10,12,13,14,15)/b11-3+
InChIKeyWGEHVGDDQJFDKM-QDEBKDIKSA-N
XLogP0.40
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one (CID 23875619) is 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one is Nc1nc(O)c(/N=C/c2ccoc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WGEHVGDDQJFDKM-QDEBKDIKSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-9-12-7(14)6(8(15)13-9)11-3-5-1-2-16-4-5/h1-4H,(H4,10,12,13,14,15)/b11-3+.
What are the key properties of 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 220.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 23875619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).