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

C11H16N6S — CID 115331164

IUPAC6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2ncnn2C(C)C)n1
InChIInChI=1S/C11H16N6S/c1-7(2)17-10(13-6-14-17)5-18-11-15-8(3)4-9(12)16-11/h4,6-7H,5H2,1-3H3,(H2,12,15,16)
InChIKeyGHZRXPUSAMYESN-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.83
Rot. Bonds4

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

6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 115331164) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
PubChem CID115331164
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2ncnn2C(C)C)n1
InChIInChI=1S/C11H16N6S/c1-7(2)17-10(13-6-14-17)5-18-11-15-8(3)4-9(12)16-11/h4,6-7H,5H2,1-3H3,(H2,12,15,16)
InChIKeyGHZRXPUSAMYESN-UHFFFAOYSA-N
XLogP1.83
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.83
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-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine (CID 115331164) is 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCc2ncnn2C(C)C)n1.
What is the InChIKey of 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is GHZRXPUSAMYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-7(2)17-10(13-6-14-17)5-18-11-15-8(3)4-9(12)16-11/h4,6-7H,5H2,1-3H3,(H2,12,15,16).
What are the key properties of 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 264.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 115331164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).