6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C17H16ClN5O5S — CID 42332937

IUPAC6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C17H16ClN5O5S/c1-27-7-6-23-13(19)12(14(25)20-16(23)26)11(24)8-29-17-22-21-15(28-17)9-2-4-10(18)5-3-9/h2-5H,6-8,19H2,1H3,(H,20,25,26)
InChIKeyYMHSYIOASTXMJB-UHFFFAOYSA-N
MW437.87 g/mol
LogP1.44
Rot. Bonds8

About 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 42332937) has the molecular formula C17H16ClN5O5S and a molecular weight of 437.87 g/mol. Its IUPAC name is 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID42332937
Molecular FormulaC17H16ClN5O5S
Molecular Weight437.87 g/mol
Exact Mass437.06
IUPAC Name6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C17H16ClN5O5S/c1-27-7-6-23-13(19)12(14(25)20-16(23)26)11(24)8-29-17-22-21-15(28-17)9-2-4-10(18)5-3-9/h2-5H,6-8,19H2,1H3,(H,20,25,26)
InChIKeyYMHSYIOASTXMJB-UHFFFAOYSA-N
XLogP1.44
TPSA146.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.87
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42348811
6-amino-5-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42409457
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 29435845
6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24571848
6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
6-amino-1-(2-methoxyethyl)-5-[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 55997545
6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 56525760
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24686230
6-amino-5-[2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24565518
6-amino-1-benzyl-3-ethyl-5-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24561946
6-amino-1-(2-methoxyethyl)-5-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24572514
6-amino-5-[2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42045390

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 42332937) is 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is YMHSYIOASTXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O5S/c1-27-7-6-23-13(19)12(14(25)20-16(23)26)11(24)8-29-17-22-21-15(28-17)9-2-4-10(18)5-3-9/h2-5H,6-8,19H2,1H3,(H,20,25,26).
What are the key properties of 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 437.87 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 42332937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).