6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

C22H22N6O4S — CID 2448978

IUPAC6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H22N6O4S/c1-3-10-27-18(23)17(20(30)24-21(27)31)16(29)12-33-22-26-25-19(15-9-11-32-13(15)2)28(22)14-7-5-4-6-8-14/h4-9,11H,3,10,12,23H2,1-2H3,(H,24,30,31)
InChIKeyUHKGOBYCHHHYSW-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.65
Rot. Bonds8

About 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 2448978) has the molecular formula C22H22N6O4S and a molecular weight of 466.52 g/mol. Its IUPAC name is 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID2448978
Molecular FormulaC22H22N6O4S
Molecular Weight466.52 g/mol
Exact Mass466.14
IUPAC Name6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H22N6O4S/c1-3-10-27-18(23)17(20(30)24-21(27)31)16(29)12-33-22-26-25-19(15-9-11-32-13(15)2)28(22)14-7-5-4-6-8-14/h4-9,11H,3,10,12,23H2,1-2H3,(H,24,30,31)
InChIKeyUHKGOBYCHHHYSW-UHFFFAOYSA-N
XLogP2.65
TPSA141.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-5-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42455691
6-amino-5-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 4857132
N-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenylacetamide
CID 16571398
6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 4786576
N,N-bis[(2R)-butan-2-yl]-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9069345
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663893
6-amino-5-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24566226
6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 18085605
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 2369149
1-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35361840
6-amino-1-(2-methylpropyl)-5-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 46667648
3-(2-methylfuran-3-yl)-5-(2-methylsulfonylethylsulfanyl)-4-phenyl-1,2,4-triazole
CID 51142941

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (CID 2448978) is 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is UHKGOBYCHHHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4S/c1-3-10-27-18(23)17(20(30)24-21(27)31)16(29)12-33-22-26-25-19(15-9-11-32-13(15)2)28(22)14-7-5-4-6-8-14/h4-9,11H,3,10,12,23H2,1-2H3,(H,24,30,31).
What are the key properties of 6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 466.52 g/mol, XLogP of 2.65, 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-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2448978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).