N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

C23H28N6O4S — CID 135849289

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(CCC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1
InChIInChI=1S/C23H28N6O4S/c1-3-8-16-12-17(30)26-22(25-16)34-14-18(31)28(11-4-2)19-20(24)29(23(33)27-21(19)32)13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13-14,24H2,1-2H3,(H,25,26,30)(H,27,32,33)
InChIKeyTYXSURCQIRCVLJ-UHFFFAOYSA-N
MW484.58 g/mol
LogP1.74
Rot. Bonds10

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 135849289) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
PubChem CID135849289
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(CCC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1
InChIInChI=1S/C23H28N6O4S/c1-3-8-16-12-17(30)26-22(25-16)34-14-18(31)28(11-4-2)19-20(24)29(23(33)27-21(19)32)13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13-14,24H2,1-2H3,(H,25,26,30)(H,27,32,33)
InChIKeyTYXSURCQIRCVLJ-UHFFFAOYSA-N
XLogP1.74
TPSA146.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55356889
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 42105359
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-butylbutanamide
CID 24686870
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
N-methyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 135445460
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-propylacetamide
CID 17390969
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24687392
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethyl-N-propylbutanamide
CID 9464677
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2124166
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886089
2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24981776
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 135524967

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (CID 135849289) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(CCC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is TYXSURCQIRCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-3-8-16-12-17(30)26-22(25-16)34-14-18(31)28(11-4-2)19-20(24)29(23(33)27-21(19)32)13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13-14,24H2,1-2H3,(H,25,26,30)(H,27,32,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 484.58 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 135849289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).