N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide

C8H11N3O3 — CID 18473528

IUPACN-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-5(2)7(13)10-11-4-3-6(12)9-8(11)14/h3-5H,1-2H3,(H,10,13)(H,9,12,14)
InChIKeyYPHFLAWXDYBVDG-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.74
Rot. Bonds2

About N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide

N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide (PubChem CID 18473528) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide
PubChem CID18473528
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-5(2)7(13)10-11-4-3-6(12)9-8(11)14/h3-5H,1-2H3,(H,10,13)(H,9,12,14)
InChIKeyYPHFLAWXDYBVDG-UHFFFAOYSA-N
XLogP-0.74
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide (CID 18473528) is N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide is CC(C)C(=O)Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is YPHFLAWXDYBVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(2)7(13)10-11-4-3-6(12)9-8(11)14/h3-5H,1-2H3,(H,10,13)(H,9,12,14).
What are the key properties of N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide?
N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 197.19 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxopyrimidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 18473528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).