N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide

C22H24N8O3S — CID 42105359

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ncnc2c1cnn2C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N8O3S/c1-3-9-29(16(31)12-34-21-15-10-26-28(2)19(15)24-13-25-21)17-18(23)30(22(33)27-20(17)32)11-14-7-5-4-6-8-14/h4-8,10,13H,3,9,11-12,23H2,1-2H3,(H,27,32,33)
InChIKeyMNNPNJZCPVCHMJ-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.38
Rot. Bonds8

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide (PubChem CID 42105359) has the molecular formula C22H24N8O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
PubChem CID42105359
Molecular FormulaC22H24N8O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ncnc2c1cnn2C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N8O3S/c1-3-9-29(16(31)12-34-21-15-10-26-28(2)19(15)24-13-25-21)17-18(23)30(22(33)27-20(17)32)11-14-7-5-4-6-8-14/h4-8,10,13H,3,9,11-12,23H2,1-2H3,(H,27,32,33)
InChIKeyMNNPNJZCPVCHMJ-UHFFFAOYSA-N
XLogP1.38
TPSA144.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 24602186
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
CID 135849289
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-propylacetamide
CID 17390969
N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
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-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-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4545210
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
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2565576
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-tert-butylphenoxy)-N-propylpropanamide
CID 24981206

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide (CID 42105359) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide is CCCN(C(=O)CSc1ncnc2c1cnn2C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
The InChIKey is MNNPNJZCPVCHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3S/c1-3-9-29(16(31)12-34-21-15-10-26-28(2)19(15)24-13-25-21)17-18(23)30(22(33)27-20(17)32)11-14-7-5-4-6-8-14/h4-8,10,13H,3,9,11-12,23H2,1-2H3,(H,27,32,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide has a molecular weight of 480.55 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 42105359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).