N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide

C18H22N8O3S — CID 2455593

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnnn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N8O3S/c1-3-9-25(13(27)11-30-18-21-22-23-24(18)2)14-15(19)26(17(29)20-16(14)28)10-12-7-5-4-6-8-12/h4-8H,3,9-11,19H2,1-2H3,(H,20,28,29)
InChIKeyFNZBARBCFPFBTA-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.23
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide (PubChem CID 2455593) has the molecular formula C18H22N8O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
PubChem CID2455593
Molecular FormulaC18H22N8O3S
Molecular Weight430.49 g/mol
Exact Mass430.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnnn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N8O3S/c1-3-9-25(13(27)11-30-18-21-22-23-24(18)2)14-15(19)26(17(29)20-16(14)28)10-12-7-5-4-6-8-12/h4-8H,3,9-11,19H2,1-2H3,(H,20,28,29)
InChIKeyFNZBARBCFPFBTA-UHFFFAOYSA-N
XLogP0.23
TPSA144.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide (CID 2455593) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide is CCCN(C(=O)CSc1nnnn1C)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-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
The InChIKey is FNZBARBCFPFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3S/c1-3-9-25(13(27)11-30-18-21-22-23-24(18)2)14-15(19)26(17(29)20-16(14)28)10-12-7-5-4-6-8-12/h4-8H,3,9-11,19H2,1-2H3,(H,20,28,29).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide has a molecular weight of 430.49 g/mol, XLogP of 0.23, 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-methyltetrazol-5-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 2455593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).