3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide

C9H13N3O3 — CID 4646503

IUPAC3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide
SMILESCn1cc(CCC(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-11-5-6(3-4-7(10)13)8(14)12(2)9(11)15/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyOKPKXCIYVMTTLD-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.50
Rot. Bonds3

About 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide

3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide (PubChem CID 4646503) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide
PubChem CID4646503
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide
SMILESCn1cc(CCC(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O3/c1-11-5-6(3-4-7(10)13)8(14)12(2)9(11)15/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyOKPKXCIYVMTTLD-UHFFFAOYSA-N
XLogP-1.50
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide?
The IUPAC name of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide (CID 4646503) is 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide is Cn1cc(CCC(N)=O)c(=O)n(C)c1=O.
What is the InChIKey of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide?
The InChIKey is OKPKXCIYVMTTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-5-6(3-4-7(10)13)8(14)12(2)9(11)15/h5H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide?
3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanamide is sourced from PubChem (CID 4646503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).