N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide

C12H19N3O3 — CID 2148482

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H19N3O3/c1-5-8(6-2)11(17)13-9-7-10(16)15(4)12(18)14(9)3/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyHWMLXIQFCIKZGP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.46
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide (PubChem CID 2148482) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide
PubChem CID2148482
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H19N3O3/c1-5-8(6-2)11(17)13-9-7-10(16)15(4)12(18)14(9)3/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyHWMLXIQFCIKZGP-UHFFFAOYSA-N
XLogP0.46
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide (CID 2148482) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide?
The InChIKey is HWMLXIQFCIKZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-8(6-2)11(17)13-9-7-10(16)15(4)12(18)14(9)3/h7-8H,5-6H2,1-4H3,(H,13,17).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide has a molecular weight of 253.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethylbutanamide is sourced from PubChem (CID 2148482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).