6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine

C9H12N6S — CID 79005466

IUPAC6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2ncnn2C)n1
InChIInChI=1S/C9H12N6S/c1-6-3-7(10)14-9(13-6)16-4-8-11-5-12-15(8)2/h3,5H,4H2,1-2H3,(H2,10,13,14)
InChIKeyDYCCZQIHAAUUBR-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.79
Rot. Bonds3

About 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine

6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 79005466) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
PubChem CID79005466
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2ncnn2C)n1
InChIInChI=1S/C9H12N6S/c1-6-3-7(10)14-9(13-6)16-4-8-11-5-12-15(8)2/h3,5H,4H2,1-2H3,(H2,10,13,14)
InChIKeyDYCCZQIHAAUUBR-UHFFFAOYSA-N
XLogP0.79
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine (CID 79005466) is 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCc2ncnn2C)n1.
What is the InChIKey of 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is DYCCZQIHAAUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-6-3-7(10)14-9(13-6)16-4-8-11-5-12-15(8)2/h3,5H,4H2,1-2H3,(H2,10,13,14).
What are the key properties of 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 236.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 79005466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).