2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C16H27N5O4 — CID 9049605

IUPAC2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)NC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N5O4/c1-6-7-21-14(17)13(15(24)20(5)16(21)25)11(22)8-19(4)9-12(23)18-10(2)3/h10H,6-9,17H2,1-5H3,(H,18,23)
InChIKeyKFCGNVPGSAOFTG-UHFFFAOYSA-N
MW353.42 g/mol
LogP-0.82
Rot. Bonds8

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

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 9049605) 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]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID9049605
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]-methylamino]-N-propan-2-ylacetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)NC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N5O4/c1-6-7-21-14(17)13(15(24)20(5)16(21)25)11(22)8-19(4)9-12(23)18-10(2)3/h10H,6-9,17H2,1-5H3,(H,18,23)
InChIKeyKFCGNVPGSAOFTG-UHFFFAOYSA-N
XLogP-0.82
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
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]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 9049605) is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CCCn1c(N)c(C(=O)CN(C)CC(=O)NC(C)C)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]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is KFCGNVPGSAOFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4/c1-6-7-21-14(17)13(15(24)20(5)16(21)25)11(22)8-19(4)9-12(23)18-10(2)3/h10H,6-9,17H2,1-5H3,(H,18,23).
What are the key properties of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 353.42 g/mol, XLogP of -0.82, 8 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]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9049605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).