2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide

C14H20N4O3 — CID 53111811

IUPAC2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc2c(=O)n(CC)c(=O)n(CC)c21
InChIInChI=1S/C14H20N4O3/c1-4-15-11(19)9-16-8-7-10-12(16)17(5-2)14(21)18(6-3)13(10)20/h7-8H,4-6,9H2,1-3H3,(H,15,19)
InChIKeyXHPKMMHSBKIBJJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.14
Rot. Bonds5

About 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide

2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide (PubChem CID 53111811) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide
PubChem CID53111811
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc2c(=O)n(CC)c(=O)n(CC)c21
InChIInChI=1S/C14H20N4O3/c1-4-15-11(19)9-16-8-7-10-12(16)17(5-2)14(21)18(6-3)13(10)20/h7-8H,4-6,9H2,1-3H3,(H,15,19)
InChIKeyXHPKMMHSBKIBJJ-UHFFFAOYSA-N
XLogP0.14
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide?
The IUPAC name of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide (CID 53111811) is 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide?
The canonical SMILES for 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide is CCNC(=O)Cn1ccc2c(=O)n(CC)c(=O)n(CC)c21.
What is the InChIKey of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide?
The InChIKey is XHPKMMHSBKIBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-15-11(19)9-16-8-7-10-12(16)17(5-2)14(21)18(6-3)13(10)20/h7-8H,4-6,9H2,1-3H3,(H,15,19).
What are the key properties of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide?
2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide has a molecular weight of 292.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide is sourced from PubChem (CID 53111811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).