1-Butyl-5-nitroso-6-aminouracil

HCID 10798570

Notes Reactions

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Basic information

Standard SMILES: CCCCn1c(N)c(N=O)c(=O)[nH]c1=O
InChIKey: QNEUGWLDQOXAID-UHFFFAOYSA-N
Molecular formula: C8H12N4O3
Average molar mass: 212.21 g/mol

Names & identifiers

Preferred name: 1-Butyl-5-nitroso-6-aminouracil
IUPAC: 6-amino-1-butyl-5-nitrosopyrimidine-2,4-dione

Names & synonyms

SCHEMBL19472041-butyl-5-nitroso-6-aminouracilQNEUGWLDQOXAID-UHFFFAOYSA-NDB-1404516-amino-1-butyl-5-nitroso-1H-pyrimidine-2,4-dione6-Amino-1-butyl-5-nitroso-2,4(1h,3h)-pyrimidinedione6-amino-1-butyl-5-nitroso-2,4-(1H,3H)pyrimidinedione6-amino-1-butyl-5-nitroso-2,4-(1H,3H)-pyrimidinedione76194-06-4

Database identifiers

PubChem CID: 10798570

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 105 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 337

Related reactions

17 records

New reaction record

HRID 88949As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 289049As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 683505As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685433As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 720620As productuspto-grants-2006_11

HRID 720621As reactantuspto-grants-2006_11

HRID 1125436As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1380396As productuspto-grants-1986_04

Compound notes

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