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

C19H25N5O5 — CID 8007048

IUPAC2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N5O5/c1-4-8-24-17(20)16(18(27)22-19(24)28)14(25)10-23(2)11-15(26)21-12-6-5-7-13(9-12)29-3/h5-7,9H,4,8,10-11,20H2,1-3H3,(H,21,26)(H,22,27,28)
InChIKeyBTYNZOPBZOLVOM-UHFFFAOYSA-N
MW403.44 g/mol
LogP0.29
Rot. Bonds9

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

2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8007048) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8007048
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N5O5/c1-4-8-24-17(20)16(18(27)22-19(24)28)14(25)10-23(2)11-15(26)21-12-6-5-7-13(9-12)29-3/h5-7,9H,4,8,10-11,20H2,1-3H3,(H,21,26)(H,22,27,28)
InChIKeyBTYNZOPBZOLVOM-UHFFFAOYSA-N
XLogP0.29
TPSA139.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 55500126
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7697349
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9336775
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8007048) is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2cccc(OC)c2)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-(3-methoxyphenyl)acetamide?
The InChIKey is BTYNZOPBZOLVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-4-8-24-17(20)16(18(27)22-19(24)28)14(25)10-23(2)11-15(26)21-12-6-5-7-13(9-12)29-3/h5-7,9H,4,8,10-11,20H2,1-3H3,(H,21,26)(H,22,27,28).
What are the key properties of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 8 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8007048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).