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

C7H9N3O3 — CID 45071779

IUPACN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-3-5(9-4(2)11)6(12)10-7(13)8-3/h1-2H3,(H,9,11)(H2,8,10,12,13)
InChIKeyKSTXHLDPQXOCEY-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.67
Rot. Bonds1

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

N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 45071779) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID45071779
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-3-5(9-4(2)11)6(12)10-7(13)8-3/h1-2H3,(H,9,11)(H2,8,10,12,13)
InChIKeyKSTXHLDPQXOCEY-UHFFFAOYSA-N
XLogP-0.67
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 45071779) is N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is KSTXHLDPQXOCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-5(9-4(2)11)6(12)10-7(13)8-3/h1-2H3,(H,9,11)(H2,8,10,12,13).
What are the key properties of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 183.17 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 45071779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).