N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide

C8H11N3O3 — CID 91181922

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)6(12)10-5-3-9-8(14)11-7(5)13/h3-4H,1-2H3,(H,10,12)(H2,9,11,13,14)
InChIKeyVOLAXIKIHDGMKA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide (PubChem CID 91181922) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide
PubChem CID91181922
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)6(12)10-5-3-9-8(14)11-7(5)13/h3-4H,1-2H3,(H,10,12)(H2,9,11,13,14)
InChIKeyVOLAXIKIHDGMKA-UHFFFAOYSA-N
XLogP-0.34
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide (CID 91181922) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The InChIKey is VOLAXIKIHDGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2)6(12)10-5-3-9-8(14)11-7(5)13/h3-4H,1-2H3,(H,10,12)(H2,9,11,13,14).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide has a molecular weight of 197.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 91181922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).