4-amino-5-nitroso-1H-pyrimidin-6-one

C4H4N4O2 — CID 135771439

IUPAC4-amino-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1N=O
InChIInChI=1S/C4H4N4O2/c5-3-2(8-10)4(9)7-1-6-3/h1H,(H3,5,6,7,9)
InChIKeyGPUANTOOPYPKGX-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.25
Rot. Bonds1

About 4-amino-5-nitroso-1H-pyrimidin-6-one

4-amino-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135771439) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is 4-amino-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-nitroso-1H-pyrimidin-6-one
PubChem CID135771439
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Name4-amino-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1N=O
InChIInChI=1S/C4H4N4O2/c5-3-2(8-10)4(9)7-1-6-3/h1H,(H3,5,6,7,9)
InChIKeyGPUANTOOPYPKGX-UHFFFAOYSA-N
XLogP-0.25
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-nitroso-1H-pyrimidin-6-one (CID 135771439) is 4-amino-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-nitroso-1H-pyrimidin-6-one is Nc1nc[nH]c(=O)c1N=O.
What is the InChIKey of 4-amino-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is GPUANTOOPYPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c5-3-2(8-10)4(9)7-1-6-3/h1H,(H3,5,6,7,9).
What are the key properties of 4-amino-5-nitroso-1H-pyrimidin-6-one?
4-amino-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 140.10 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135771439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).