6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione

C12H16N6O3S — CID 24569772

IUPAC6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N6O3S/c1-6(2)3-18-9(13)8(10(20)16-12(18)21)7(19)4-22-11-14-5-15-17-11/h5-6H,3-4,13H2,1-2H3,(H,14,15,17)(H,16,20,21)
InChIKeyYLDJNGCSUCOYMI-UHFFFAOYSA-N
MW324.37 g/mol
LogP-0.13
Rot. Bonds6

About 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione (PubChem CID 24569772) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
PubChem CID24569772
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N6O3S/c1-6(2)3-18-9(13)8(10(20)16-12(18)21)7(19)4-22-11-14-5-15-17-11/h5-6H,3-4,13H2,1-2H3,(H,14,15,17)(H,16,20,21)
InChIKeyYLDJNGCSUCOYMI-UHFFFAOYSA-N
XLogP-0.13
TPSA139.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24649365
6-amino-5-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 36609416
6-amino-5-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 36634549
6-amino-5-[2-(2,4-dimethylphenyl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42150829
N-[4-[2-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 42154347
6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42348816
6-amino-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24569299
6-amino-1-(2-methylpropyl)-5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 42456538
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42370683
6-amino-5-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42455691
6-amino-1-(2-methylpropyl)-5-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 46667648
1-[2-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 24604304

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione (CID 24569772) is 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The InChIKey is YLDJNGCSUCOYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c1-6(2)3-18-9(13)8(10(20)16-12(18)21)7(19)4-22-11-14-5-15-17-11/h5-6H,3-4,13H2,1-2H3,(H,14,15,17)(H,16,20,21).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione has a molecular weight of 324.37 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24569772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).