N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C8H9N3O4 — CID 10058984

IUPACN-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C=O)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C8H9N3O4/c1-4(13)9-6-5(3-12)10-8(15)11(2)7(6)14/h3H,1-2H3,(H,9,13)(H,10,15)
InChIKeyKAYTZBZIALPEBD-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.16
Rot. Bonds2

About N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 10058984) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID10058984
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C=O)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C8H9N3O4/c1-4(13)9-6-5(3-12)10-8(15)11(2)7(6)14/h3H,1-2H3,(H,9,13)(H,10,15)
InChIKeyKAYTZBZIALPEBD-UHFFFAOYSA-N
XLogP-1.16
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 10058984) is N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(C=O)[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is KAYTZBZIALPEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(13)9-6-5(3-12)10-8(15)11(2)7(6)14/h3H,1-2H3,(H,9,13)(H,10,15).
What are the key properties of N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 10058984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).