N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H25N7O3S2 — CID 27788858

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCCN(C(=O)CSc1nnc(NC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N7O3S2/c1-4-6-8-22(10(24)9-27-16-21-20-14(18-3)28-16)11-12(17)23(7-5-2)15(26)19-13(11)25/h4-9,17H2,1-3H3,(H,18,20)(H,19,25,26)
InChIKeyOAISTLJFKUGFFS-UHFFFAOYSA-N
MW427.56 g/mol
LogP1.35
Rot. Bonds10

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

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 27788858) has the molecular formula C16H25N7O3S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID27788858
Molecular FormulaC16H25N7O3S2
Molecular Weight427.56 g/mol
Exact Mass427.15
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCCN(C(=O)CSc1nnc(NC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N7O3S2/c1-4-6-8-22(10(24)9-27-16-21-20-14(18-3)28-16)11-12(17)23(7-5-2)15(26)19-13(11)25/h4-9,17H2,1-3H3,(H,18,20)(H,19,25,26)
InChIKeyOAISTLJFKUGFFS-UHFFFAOYSA-N
XLogP1.35
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 24652893
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CID 7606740
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CID 24589901

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 27788858) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCCCN(C(=O)CSc1nnc(NC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OAISTLJFKUGFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O3S2/c1-4-6-8-22(10(24)9-27-16-21-20-14(18-3)28-16)11-12(17)23(7-5-2)15(26)19-13(11)25/h4-9,17H2,1-3H3,(H,18,20)(H,19,25,26).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 427.56 g/mol, XLogP of 1.35, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27788858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).