N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide

C20H28N4O4 — CID 8840048

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
SMILESCOCCN(C(=O)c1cc(C)cc(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O4/c1-12(2)11-24-17(21)16(18(25)22-20(24)27)23(6-7-28-5)19(26)15-9-13(3)8-14(4)10-15/h8-10,12H,6-7,11,21H2,1-5H3,(H,22,25,27)
InChIKeyONQGXDDVLHVNCK-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.68
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide (PubChem CID 8840048) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
PubChem CID8840048
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
SMILESCOCCN(C(=O)c1cc(C)cc(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O4/c1-12(2)11-24-17(21)16(18(25)22-20(24)27)23(6-7-28-5)19(26)15-9-13(3)8-14(4)10-15/h8-10,12H,6-7,11,21H2,1-5H3,(H,22,25,27)
InChIKeyONQGXDDVLHVNCK-UHFFFAOYSA-N
XLogP1.68
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide
CID 55340851
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-methoxy-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55383112
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 8840036
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 55340674
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-(cyclopropanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 55340557
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684789
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736016
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 8840063
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide (CID 8840048) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide is COCCN(C(=O)c1cc(C)cc(C)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
The InChIKey is ONQGXDDVLHVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-12(2)11-24-17(21)16(18(25)22-20(24)27)23(6-7-28-5)19(26)15-9-13(3)8-14(4)10-15/h8-10,12H,6-7,11,21H2,1-5H3,(H,22,25,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 8840048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).