3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide

C11H18N4O3 — CID 63800797

IUPAC3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C11H18N4O3/c1-3-13-9(16)5-6-15-10(17)8(12)7-14(4-2)11(15)18/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyDNTXKGIAKAMDBE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.86
Rot. Bonds5

About 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide

3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 63800797) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID63800797
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(=O)c(N)cn(CC)c1=O
InChIInChI=1S/C11H18N4O3/c1-3-13-9(16)5-6-15-10(17)8(12)7-14(4-2)11(15)18/h7H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyDNTXKGIAKAMDBE-UHFFFAOYSA-N
XLogP-0.86
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide (CID 63800797) is 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1c(=O)c(N)cn(CC)c1=O.
What is the InChIKey of 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is DNTXKGIAKAMDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-13-9(16)5-6-15-10(17)8(12)7-14(4-2)11(15)18/h7H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide?
3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 254.29 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 63800797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).