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

C17H16N6O3S — CID 9360291

IUPAC6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nncn2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C17H16N6O3S/c18-14-13(15(25)20-16(26)23(14)11-6-7-11)12(24)8-27-17-21-19-9-22(17)10-4-2-1-3-5-10/h1-5,9,11H,6-8,18H2,(H,20,25,26)
InChIKeyCWMSQGYOZGJDQL-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.01
Rot. Bonds6

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

6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione (PubChem CID 9360291) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
PubChem CID9360291
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nncn2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C17H16N6O3S/c18-14-13(15(25)20-16(26)23(14)11-6-7-11)12(24)8-27-17-21-19-9-22(17)10-4-2-1-3-5-10/h1-5,9,11H,6-8,18H2,(H,20,25,26)
InChIKeyCWMSQGYOZGJDQL-UHFFFAOYSA-N
XLogP1.01
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

6-amino-1-cyclopropyl-5-[2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 27277598
6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24600717
6-amino-1-cyclopropyl-5-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9467636
6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360297
6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 34788383
6-amino-1-cyclopropyl-5-(2-quinolin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360293
6-amino-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 24521406
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 25341475
6-amino-1-cyclopropyl-5-[2-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24518381
6-amino-1-cyclopropyl-5-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24518376
6-amino-1-cyclopropyl-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 38846872
6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 9261805

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione (CID 9360291) is 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione is Nc1c(C(=O)CSc2nncn2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?
The InChIKey is CWMSQGYOZGJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c18-14-13(15(25)20-16(26)23(14)11-6-7-11)12(24)8-27-17-21-19-9-22(17)10-4-2-1-3-5-10/h1-5,9,11H,6-8,18H2,(H,20,25,26).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione has a molecular weight of 384.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 9360291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).