Molecule

Dihydro-2,4(1H,3H)-pyrimidinedione

AlkaPlorer ID: AK008329

Synonym: Hydrouracil, Dihydrouracil, Hexahydro-2,4-dioxopyrimidine

IUPAC Name: 1,3-diazinane-2,4-dione

SMILES: OC1=NC(O)=NCC1

InChI: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)

InChIKey: OIVLITBTBDPEFK-UHFFFAOYSA-N

PubChem CID: 649

CAS: 504-07-4

LOTUS: LTS0013122

SuperNatural Ⅲ: SN0266617

NPASS: NPC22579

COCONUT: CNP0329983

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ophiocordyceps sinensis	Ophiocordyceps	Ophiocordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota
Escherichia coli	Escherichia	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 114.104

TPSA？: 65.18

MolLogP？: 0.2605999999999999

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT017063	NC(=O)NCCC(=O)O>>O=C1CCNC(=O)N1	R02269
AKRT023539	O=C1CCN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1>>O=C1CCNC(=O)N1	2.4.2.20-RXN
AKRT023541	O=C1CCNC(=O)N1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>O=C1CCN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1	2.4.2.20-RXN
AKRT023542	O=C1CCNC(=O)N1>>NC(=O)NCCC(=O)O	DIHYDROPYRIMIDINASE-RXN
AKRT023543	O=C1CCNC(=O)N1>>O=c1cc[nH]c(=O)[nH]1	R00977
AKRT024367	O=c1cc[nH]c(=O)[nH]1>>O=C1CCNC(=O)N1	1.3.1.2-RXN