2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione

C10H12N6O2S — CID 107785336

IUPAC2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione
SMILESCNc1ncc(C)c(Sc2nc(=O)c(=O)[nH]n2C)n1
InChIInChI=1S/C10H12N6O2S/c1-5-4-12-9(11-2)14-8(5)19-10-13-6(17)7(18)15-16(10)3/h4H,1-3H3,(H,15,18)(H,11,12,14)
InChIKeyYNECKUFCXGCZCG-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.24
Rot. Bonds3

About 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione

2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione (PubChem CID 107785336) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione
PubChem CID107785336
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione
SMILESCNc1ncc(C)c(Sc2nc(=O)c(=O)[nH]n2C)n1
InChIInChI=1S/C10H12N6O2S/c1-5-4-12-9(11-2)14-8(5)19-10-13-6(17)7(18)15-16(10)3/h4H,1-3H3,(H,15,18)(H,11,12,14)
InChIKeyYNECKUFCXGCZCG-UHFFFAOYSA-N
XLogP-0.24
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione with MolForge

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Related Compounds

3-(2-amino-5-methylpyrimidin-4-yl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785248
2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107783313
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80891867
3-[2-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892604
3-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 114001159
6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyridine-2-carbonitrile
CID 107785888
4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80888484
3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyrazine-2-carboximidamide
CID 107786044
2-methyl-3-[2-(methylaminomethyl)phenyl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107783333
2-methyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107786103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione?
The IUPAC name of 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione (CID 107785336) is 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione.
What is the SMILES notation for 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione?
The canonical SMILES for 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione is CNc1ncc(C)c(Sc2nc(=O)c(=O)[nH]n2C)n1.
What is the InChIKey of 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione?
The InChIKey is YNECKUFCXGCZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-5-4-12-9(11-2)14-8(5)19-10-13-6(17)7(18)15-16(10)3/h4H,1-3H3,(H,15,18)(H,11,12,14).
What are the key properties of 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione?
2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione has a molecular weight of 280.31 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione is sourced from PubChem (CID 107785336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).