N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide

C20H32N6O5 — CID 55666573

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CCc1nc(C(C)(C)C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H32N6O5/c1-12(2)11-26-16(21)15(17(28)23-19(26)29)25(9-10-30-6)14(27)8-7-13-22-18(24-31-13)20(3,4)5/h12H,7-11,21H2,1-6H3,(H,23,28,29)
InChIKeyBLQRYLUQEJXBEN-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.07
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 55666573) has the molecular formula C20H32N6O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide
PubChem CID55666573
Molecular FormulaC20H32N6O5
Molecular Weight436.51 g/mol
Exact Mass436.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CCc1nc(C(C)(C)C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H32N6O5/c1-12(2)11-26-16(21)15(17(28)23-19(26)29)25(9-10-30-6)14(27)8-7-13-22-18(24-31-13)20(3,4)5/h12H,7-11,21H2,1-6H3,(H,23,28,29)
InChIKeyBLQRYLUQEJXBEN-UHFFFAOYSA-N
XLogP1.07
TPSA149.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 30391240
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 43000058
[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]-N-(2-methoxyethyl)-3-(oxolan-2-yl)propanamide
CID 55605547
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 86912912
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-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16599624
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7981154
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 43037608
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 42974573
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
4-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 55545228

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide (CID 55666573) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide is COCCN(C(=O)CCc1nc(C(C)(C)C)no1)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]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is BLQRYLUQEJXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O5/c1-12(2)11-26-16(21)15(17(28)23-19(26)29)25(9-10-30-6)14(27)8-7-13-22-18(24-31-13)20(3,4)5/h12H,7-11,21H2,1-6H3,(H,23,28,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 436.51 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 55666573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).