6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione

C10H12N6O3S — CID 2352688

IUPAC6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C10H12N6O3S/c1-15-7(11)6(8(18)16(2)10(15)19)5(17)3-20-9-12-4-13-14-9/h4H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyWBJANTAVILIYJN-UHFFFAOYSA-N
MW296.31 g/mol
LogP-1.24
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione (PubChem CID 2352688) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
PubChem CID2352688
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C10H12N6O3S/c1-15-7(11)6(8(18)16(2)10(15)19)5(17)3-20-9-12-4-13-14-9/h4H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyWBJANTAVILIYJN-UHFFFAOYSA-N
XLogP-1.24
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione (CID 2352688) is 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
The InChIKey is WBJANTAVILIYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-15-7(11)6(8(18)16(2)10(15)19)5(17)3-20-9-12-4-13-14-9/h4H,3,11H2,1-2H3,(H,12,13,14).
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione has a molecular weight of 296.31 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2352688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).