N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide

C22H30N6O4S — CID 24594255

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCn1cnc2sccc2c1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N6O4S/c1-3-5-7-11-27(17-18(23)28(10-6-4-2)22(32)25-19(17)30)16(29)8-12-26-14-24-20-15(21(26)31)9-13-33-20/h9,13-14H,3-8,10-12,23H2,1-2H3,(H,25,30,32)
InChIKeyHBOYDDFXDLEAII-UHFFFAOYSA-N
MW474.59 g/mol
LogP2.30
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide (PubChem CID 24594255) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide
PubChem CID24594255
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCn1cnc2sccc2c1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N6O4S/c1-3-5-7-11-27(17-18(23)28(10-6-4-2)22(32)25-19(17)30)16(29)8-12-26-14-24-20-15(21(26)31)9-13-33-20/h9,13-14H,3-8,10-12,23H2,1-2H3,(H,25,30,32)
InChIKeyHBOYDDFXDLEAII-UHFFFAOYSA-N
XLogP2.30
TPSA136.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55487587
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
CID 26205772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287083
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentylpropanamide
CID 55413717
butyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 35539392
(4-methylphenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987782
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,4-dimethylphenoxy)-N-pentylpropanamide
CID 55573828
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27283033
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
CID 30971314

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide (CID 24594255) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide is CCCCCN(C(=O)CCn1cnc2sccc2c1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide?
The InChIKey is HBOYDDFXDLEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-3-5-7-11-27(17-18(23)28(10-6-4-2)22(32)25-19(17)30)16(29)8-12-26-14-24-20-15(21(26)31)9-13-33-20/h9,13-14H,3-8,10-12,23H2,1-2H3,(H,25,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide has a molecular weight of 474.59 g/mol, XLogP of 2.30, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide is sourced from PubChem (CID 24594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).