N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide

C21H30N4O5 — CID 2520949

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCCCCN(C(=O)COc1ccc(C)cc1OC)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O5/c1-5-7-11-24(18-19(22)25(10-6-2)21(28)23-20(18)27)17(26)13-30-15-9-8-14(3)12-16(15)29-4/h8-9,12H,5-7,10-11,13,22H2,1-4H3,(H,23,27,28)
InChIKeyQYVBKNFEUARKGF-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.06
Rot. Bonds10

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 2520949) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID2520949
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCCCCN(C(=O)COc1ccc(C)cc1OC)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O5/c1-5-7-11-24(18-19(22)25(10-6-2)21(28)23-20(18)27)17(26)13-30-15-9-8-14(3)12-16(15)29-4/h8-9,12H,5-7,10-11,13,22H2,1-4H3,(H,23,27,28)
InChIKeyQYVBKNFEUARKGF-UHFFFAOYSA-N
XLogP2.06
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-1-benzyl-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-1H-pyrimidine-2,4-dione
CID 2388927
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4785331
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(3-ethylphenoxy)acetamide
CID 935760
5-{3-ethoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1330651
3-{3-[2-Methoxy-4-(1-propen-1-yl)phenoxy]propyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2216263
3-{4-[2-Methoxy-4-(1-propen-1-yl)phenoxy]butyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2216567
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 2558694
methyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490208
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dimethylphenoxy)-N-methylacetamide
CID 8800952
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-fluorophenoxy)acetamide
CID 16229780
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenoxy)-N-methylacetamide
CID 17429919
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24687724

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide (CID 2520949) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide is CCCCN(C(=O)COc1ccc(C)cc1OC)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is QYVBKNFEUARKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-5-7-11-24(18-19(22)25(10-6-2)21(28)23-20(18)27)17(26)13-30-15-9-8-14(3)12-16(15)29-4/h8-9,12H,5-7,10-11,13,22H2,1-4H3,(H,23,27,28).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 418.49 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 2520949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).