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

C15H25N5O4 — CID 4848840

IUPAC2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C15H25N5O4/c1-4-6-17-11(22)9-19(3)8-10(21)12-13(16)20(7-5-2)15(24)18-14(12)23/h4-9,16H2,1-3H3,(H,17,22)(H,18,23,24)
InChIKeyZFDQMLFQAHJJIJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP-0.83
Rot. Bonds9

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

2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 4848840) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID4848840
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C15H25N5O4/c1-4-6-17-11(22)9-19(3)8-10(21)12-13(16)20(7-5-2)15(24)18-14(12)23/h4-9,16H2,1-3H3,(H,17,22)(H,18,23,24)
InChIKeyZFDQMLFQAHJJIJ-UHFFFAOYSA-N
XLogP-0.83
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide with MolForge

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Related Compounds

6-amino-5-[(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 729488
6-Amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851012
6-Amino-5-[2-(azepan-1-yl)acetyl]-1-ethylpyrimidine-2,4-dione
CID 45795858
6-Amino-5-[2-(dipropylamino)acetyl]-1-ethylpyrimidine-2,4-dione
CID 45798288
6-Amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 90485306
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80500896
6-Amino-1,3-dimethyl-5-[2-[methyl(3,3,3-trifluoropropyl)amino]acetyl]pyrimidine-2,4-dione
CID 86842736
[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium
CID 90677960
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 4849751
6-Amino-5-[2-(butylamino)acetyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 15993495
6-Amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride
CID 126477197
6-Amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 126477237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 4848840) is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is ZFDQMLFQAHJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-4-6-17-11(22)9-19(3)8-10(21)12-13(16)20(7-5-2)15(24)18-14(12)23/h4-9,16H2,1-3H3,(H,17,22)(H,18,23,24).
What are the key properties of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 339.40 g/mol, XLogP of -0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 4848840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).