N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

C15H23N7O4S2 — CID 16524235

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(N)s2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N7O4S2/c1-3-4-5-22-11(16)10(12(24)18-14(22)25)21(6-7-26-2)9(23)8-27-15-20-19-13(17)28-15/h3-8,16H2,1-2H3,(H2,17,19)(H,18,24,25)
InChIKeyAEXKQRRUZFXXSS-UHFFFAOYSA-N
MW429.53 g/mol
LogP0.12
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 16524235) has the molecular formula C15H23N7O4S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID16524235
Molecular FormulaC15H23N7O4S2
Molecular Weight429.53 g/mol
Exact Mass429.13
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(N)s2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N7O4S2/c1-3-4-5-22-11(16)10(12(24)18-14(22)25)21(6-7-26-2)9(23)8-27-15-20-19-13(17)28-15/h3-8,16H2,1-2H3,(H2,17,19)(H,18,24,25)
InChIKeyAEXKQRRUZFXXSS-UHFFFAOYSA-N
XLogP0.12
TPSA162.22 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

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CID 24589901
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 16524235) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(N)s2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is AEXKQRRUZFXXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O4S2/c1-3-4-5-22-11(16)10(12(24)18-14(22)25)21(6-7-26-2)9(23)8-27-15-20-19-13(17)28-15/h3-8,16H2,1-2H3,(H2,17,19)(H,18,24,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 429.53 g/mol, XLogP of 0.12, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16524235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).