2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide

C16H27N5O4 — CID 9433261

IUPAC2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCCn1c(N)c(C(=O)CN(CC)CC(=O)NCC)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N5O4/c1-5-8-21-14(17)13(15(24)19(4)16(21)25)11(22)9-20(7-3)10-12(23)18-6-2/h5-10,17H2,1-4H3,(H,18,23)
InChIKeyXTJVGHIXRUWLPF-UHFFFAOYSA-N
MW353.42 g/mol
LogP-0.82
Rot. Bonds9

About 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 9433261) has the molecular formula C16H27N5O4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID9433261
Molecular FormulaC16H27N5O4
Molecular Weight353.42 g/mol
Exact Mass353.21
IUPAC Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCCn1c(N)c(C(=O)CN(CC)CC(=O)NCC)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N5O4/c1-5-8-21-14(17)13(15(24)19(4)16(21)25)11(22)9-20(7-3)10-12(23)18-6-2/h5-10,17H2,1-4H3,(H,18,23)
InChIKeyXTJVGHIXRUWLPF-UHFFFAOYSA-N
XLogP-0.82
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 9433261) is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCCn1c(N)c(C(=O)CN(CC)CC(=O)NCC)c(=O)n(C)c1=O.
What is the InChIKey of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is XTJVGHIXRUWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4/c1-5-8-21-14(17)13(15(24)19(4)16(21)25)11(22)9-20(7-3)10-12(23)18-6-2/h5-10,17H2,1-4H3,(H,18,23).
What are the key properties of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 353.42 g/mol, XLogP of -0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 9433261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).