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

C20H23N7O5S — CID 135775936

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CSc1nc(N)cc(=O)[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N7O5S/c1-32-8-7-26(15(29)11-33-19-23-13(21)9-14(28)24-19)16-17(22)27(20(31)25-18(16)30)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11,22H2,1H3,(H,25,30,31)(H3,21,23,24,28)
InChIKeySZFYIKIUYVIJQC-UHFFFAOYSA-N
MW473.52 g/mol
LogP-0.40
Rot. Bonds9

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 135775936) has the molecular formula C20H23N7O5S and a molecular weight of 473.52 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID135775936
Molecular FormulaC20H23N7O5S
Molecular Weight473.52 g/mol
Exact Mass473.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CSc1nc(N)cc(=O)[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N7O5S/c1-32-8-7-26(15(29)11-33-19-23-13(21)9-14(28)24-19)16-17(22)27(20(31)25-18(16)30)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11,22H2,1H3,(H,25,30,31)(H3,21,23,24,28)
InChIKeySZFYIKIUYVIJQC-UHFFFAOYSA-N
XLogP-0.40
TPSA182.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide with MolForge

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Related Compounds

2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2467500
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980189
2-[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 24980501
N-[2-benzylsulfanyl-5-(dibenzylamino)-1-ethyl-6-oxopyrimidin-4-yl]acetamide
CID 53388793
N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135416815
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135534190
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24979791
2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 24982518
N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135410606
N-(1-benzyl-2-benzylsulfanyl-6-oxopyrimidin-4-yl)acetamide
CID 90681272
2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-6-phenyl-4(3H)-pyrimidinone
CID 135420529

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 135775936) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CSc1nc(N)cc(=O)[nH]1)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-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SZFYIKIUYVIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O5S/c1-32-8-7-26(15(29)11-33-19-23-13(21)9-14(28)24-19)16-17(22)27(20(31)25-18(16)30)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11,22H2,1H3,(H,25,30,31)(H3,21,23,24,28).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 473.52 g/mol, XLogP of -0.40, 9 rotatable bonds, 4 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-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 135775936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).