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

C18H20N6O4S — CID 18085605

IUPAC6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nncn2-c2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H20N6O4S/c1-3-7-23-15(19)14(16(26)21-17(23)27)13(25)9-29-18-22-20-10-24(18)11-5-4-6-12(8-11)28-2/h4-6,8,10H,3,7,9,19H2,1-2H3,(H,21,26,27)
InChIKeyXZWLNBLZWAJCLG-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.09
Rot. Bonds8

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

6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 18085605) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID18085605
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC Name6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nncn2-c2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H20N6O4S/c1-3-7-23-15(19)14(16(26)21-17(23)27)13(25)9-29-18-22-20-10-24(18)11-5-4-6-12(8-11)28-2/h4-6,8,10H,3,7,9,19H2,1-2H3,(H,21,26,27)
InChIKeyXZWLNBLZWAJCLG-UHFFFAOYSA-N
XLogP1.09
TPSA137.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42409457
6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 18227479
6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 4786576
6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007048
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
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
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17425915
6-amino-1-cyclopropyl-5-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 27277598
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7697349
6-amino-1-benzyl-5-[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2562825
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55534766

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione (CID 18085605) is 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nncn2-c2cccc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is XZWLNBLZWAJCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-3-7-23-15(19)14(16(26)21-17(23)27)13(25)9-29-18-22-20-10-24(18)11-5-4-6-12(8-11)28-2/h4-6,8,10H,3,7,9,19H2,1-2H3,(H,21,26,27).
What are the key properties of 6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 416.46 g/mol, XLogP of 1.09, 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-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 18085605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).