[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea

C9H13N5O4 — CID 136623139

IUPAC[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N5O4/c1-4(11-12-8(10)17)5-6(15)13(2)9(18)14(3)7(5)16/h15H,1-3H3,(H3,10,12,17)/b11-4-
InChIKeyJJTSXXJQUGTPQV-WCIBSUBMSA-N
MW255.23 g/mol
LogP-1.82
Rot. Bonds2

About [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea

[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea (PubChem CID 136623139) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
PubChem CID136623139
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N5O4/c1-4(11-12-8(10)17)5-6(15)13(2)9(18)14(3)7(5)16/h15H,1-3H3,(H3,10,12,17)/b11-4-
InChIKeyJJTSXXJQUGTPQV-WCIBSUBMSA-N
XLogP-1.82
TPSA131.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea (CID 136623139) is [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea is C/C(=N/NC(N)=O)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea?
The InChIKey is JJTSXXJQUGTPQV-WCIBSUBMSA-N. The full InChI is InChI=1S/C9H13N5O4/c1-4(11-12-8(10)17)5-6(15)13(2)9(18)14(3)7(5)16/h15H,1-3H3,(H3,10,12,17)/b11-4-.
What are the key properties of [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea?
[(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea has a molecular weight of 255.23 g/mol, XLogP of -1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]urea is sourced from PubChem (CID 136623139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).