N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate

C7H10N4O4 — CID 71303636

IUPACN-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate
SMILESCC(=O)/N=C1\C(=O)N(C)C(=O)N=C1N.O
InChIInChI=1S/C7H8N4O3.H2O/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13;/h1-2H3,(H2,8,10,14);1H2/b9-4-;
InChIKeyAZZUDBVGJKUEJT-WONROIIJSA-N
MW214.18 g/mol
LogP-1.90
Rot. Bonds

About N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate

N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate (PubChem CID 71303636) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate.

Molecular Properties

Compound NameN-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate
PubChem CID71303636
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC NameN-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate
SMILESCC(=O)/N=C1\C(=O)N(C)C(=O)N=C1N.O
InChIInChI=1S/C7H8N4O3.H2O/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13;/h1-2H3,(H2,8,10,14);1H2/b9-4-;
InChIKeyAZZUDBVGJKUEJT-WONROIIJSA-N
XLogP-1.90
TPSA136.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-1h-purine-2,6-dione
CID 18755286
9-Methylpurine-2,6,8-trione
CID 53249617
N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide
CID 71303637
1,3-Dimethylpurin-3-ium-2,6-dione;hydrate
CID 71650720
N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 74041508
6-Amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione
CID 76844507
N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)propanamide
CID 76852012
N-(6-Amino-3-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 76852021
N-(6-Amino-3-ethyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide
CID 76852022
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-2-hydroxyacetamide
CID 78222666
6-Amino-2,3-dihydro-2-methoxy-3-methyl-5-nitroso-4(1H)-pyrimidinone
CID 165350408
(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one
CID 177444714

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate?
The IUPAC name of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate (CID 71303636) is N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate.
What is the SMILES notation for N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate?
The canonical SMILES for N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate is CC(=O)/N=C1\C(=O)N(C)C(=O)N=C1N.O.
What is the InChIKey of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate?
The InChIKey is AZZUDBVGJKUEJT-WONROIIJSA-N. The full InChI is InChI=1S/C7H8N4O3.H2O/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13;/h1-2H3,(H2,8,10,14);1H2/b9-4-;.
What are the key properties of N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate?
N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate has a molecular weight of 214.18 g/mol, XLogP of -1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate is sourced from PubChem (CID 71303636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).