N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide

C8H11N4O4+ — CID 78222666

IUPACN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide
SMILESCN1C(=O)/C(=N\C(=O)CO)C(N)=[N+](C)C1=O
InChIInChI=1S/C8H10N4O4/c1-11-6(9)5(10-4(14)3-13)7(15)12(2)8(11)16/h9,13H,3H2,1-2H3/p+1/b10-5-
InChIKeyMBYPHCPQXBRFKI-YHYXMXQVSA-O
MW227.20 g/mol
LogP-2.46
Rot. Bonds1

About N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide (PubChem CID 78222666) has the molecular formula C8H11N4O4+ and a molecular weight of 227.20 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide
PubChem CID78222666
Molecular FormulaC8H11N4O4+
Molecular Weight227.20 g/mol
Exact Mass227.08
IUPAC NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide
SMILESCN1C(=O)/C(=N\C(=O)CO)C(N)=[N+](C)C1=O
InChIInChI=1S/C8H10N4O4/c1-11-6(9)5(10-4(14)3-13)7(15)12(2)8(11)16/h9,13H,3H2,1-2H3/p+1/b10-5-
InChIKeyMBYPHCPQXBRFKI-YHYXMXQVSA-O
XLogP-2.46
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 5-2.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate
CID 71303636
N-[6-Amino-1-(2-hydroxypropyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]acetamide
CID 75094849
N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)propanamide
CID 76852012
8-(Hydroxymethyl)-1,3-dimethylpurin-3-ium-2,6-dione
CID 78169899
2-hydroxy-N-(1-methyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)acetamide
CID 178186978

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide?
The IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide (CID 78222666) is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide.
What is the SMILES notation for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide?
The canonical SMILES for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide is CN1C(=O)/C(=N\C(=O)CO)C(N)=[N+](C)C1=O.
What is the InChIKey of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide?
The InChIKey is MBYPHCPQXBRFKI-YHYXMXQVSA-O. The full InChI is InChI=1S/C8H10N4O4/c1-11-6(9)5(10-4(14)3-13)7(15)12(2)8(11)16/h9,13H,3H2,1-2H3/p+1/b10-5-.
What are the key properties of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide?
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide has a molecular weight of 227.20 g/mol, XLogP of -2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide is sourced from PubChem (CID 78222666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).