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

C15H25N5O4 — CID 8712319

IUPAC2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)N(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N5O4/c1-6-7-20-13(16)12(14(23)19(5)15(20)24)10(21)8-18(4)9-11(22)17(2)3/h6-9,16H2,1-5H3
InChIKeyPBVQHTDTEFGMEO-UHFFFAOYSA-N
MW339.40 g/mol
LogP-1.26
Rot. Bonds7

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

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 8712319) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
PubChem CID8712319
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)N(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N5O4/c1-6-7-20-13(16)12(14(23)19(5)15(20)24)10(21)8-18(4)9-11(22)17(2)3/h6-9,16H2,1-5H3
InChIKeyPBVQHTDTEFGMEO-UHFFFAOYSA-N
XLogP-1.26
TPSA110.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
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,N-dimethylacetamide?
The IUPAC name of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide (CID 8712319) is 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide is CCCn1c(N)c(C(=O)CN(C)CC(=O)N(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,N-dimethylacetamide?
The InChIKey is PBVQHTDTEFGMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-6-7-20-13(16)12(14(23)19(5)15(20)24)10(21)8-18(4)9-11(22)17(2)3/h6-9,16H2,1-5H3.
What are the key properties of 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 339.40 g/mol, XLogP of -1.26, 7 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 8712319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).