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

C17H21N5O4 — CID 16606587

IUPAC2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
SMILESCCCn1c(N)c(C(=O)CNc2ccccc2C(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C17H21N5O4/c1-3-8-22-14(18)13(16(25)21(2)17(22)26)12(23)9-20-11-7-5-4-6-10(11)15(19)24/h4-7,20H,3,8-9,18H2,1-2H3,(H2,19,24)
InChIKeyVSBFKSKBHFLOLH-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.07
Rot. Bonds7

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

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide (PubChem CID 16606587) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
PubChem CID16606587
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
SMILESCCCn1c(N)c(C(=O)CNc2ccccc2C(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C17H21N5O4/c1-3-8-22-14(18)13(16(25)21(2)17(22)26)12(23)9-20-11-7-5-4-6-10(11)15(19)24/h4-7,20H,3,8-9,18H2,1-2H3,(H2,19,24)
InChIKeyVSBFKSKBHFLOLH-UHFFFAOYSA-N
XLogP-0.07
TPSA142.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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]amino]benzamide?
The IUPAC name of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide (CID 16606587) is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide is CCCn1c(N)c(C(=O)CNc2ccccc2C(N)=O)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]amino]benzamide?
The InChIKey is VSBFKSKBHFLOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-3-8-22-14(18)13(16(25)21(2)17(22)26)12(23)9-20-11-7-5-4-6-10(11)15(19)24/h4-7,20H,3,8-9,18H2,1-2H3,(H2,19,24).
What are the key properties of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide?
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 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]amino]benzamide is sourced from PubChem (CID 16606587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).