N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

C24H35N5O4S — CID 55338431

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCCCN(C(=O)C(C)SCC(=O)Nc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O4S/c1-5-7-13-28(20-21(25)29(14-8-6-2)24(33)27-22(20)31)23(32)17(4)34-15-19(30)26-18-11-9-16(3)10-12-18/h9-12,17H,5-8,13-15,25H2,1-4H3,(H,26,30)(H,27,31,33)
InChIKeySCARDBJJCWLMHZ-UHFFFAOYSA-N
MW489.64 g/mol
LogP3.12
Rot. Bonds12

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 55338431) has the molecular formula C24H35N5O4S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID55338431
Molecular FormulaC24H35N5O4S
Molecular Weight489.64 g/mol
Exact Mass489.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCCCN(C(=O)C(C)SCC(=O)Nc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O4S/c1-5-7-13-28(20-21(25)29(14-8-6-2)24(33)27-22(20)31)23(32)17(4)34-15-19(30)26-18-11-9-16(3)10-12-18/h9-12,17H,5-8,13-15,25H2,1-4H3,(H,26,30)(H,27,31,33)
InChIKeySCARDBJJCWLMHZ-UHFFFAOYSA-N
XLogP3.12
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55339356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(4-fluorophenyl)propanamide
CID 55852061
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-chloro-4-methylphenyl)-1-propylthiourea
CID 9093912
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-butyl-2-(1-phenylethylamino)acetamide
CID 42913361
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 34657636
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)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (CID 55338431) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is CCCCN(C(=O)C(C)SCC(=O)Nc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is SCARDBJJCWLMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4S/c1-5-7-13-28(20-21(25)29(14-8-6-2)24(33)27-22(20)31)23(32)17(4)34-15-19(30)26-18-11-9-16(3)10-12-18/h9-12,17H,5-8,13-15,25H2,1-4H3,(H,26,30)(H,27,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 489.64 g/mol, XLogP of 3.12, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 55338431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).