6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine

C8H13N3S — CID 115279565

IUPAC6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCc1cc(N)nc(SC(C)C)n1
InChIInChI=1S/C8H13N3S/c1-5(2)12-8-10-6(3)4-7(9)11-8/h4-5H,1-3H3,(H2,9,10,11)
InChIKeyBFSQTPCUUPLZMB-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.87
Rot. Bonds2

About 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine

6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 115279565) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID115279565
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCc1cc(N)nc(SC(C)C)n1
InChIInChI=1S/C8H13N3S/c1-5(2)12-8-10-6(3)4-7(9)11-8/h4-5H,1-3H3,(H2,9,10,11)
InChIKeyBFSQTPCUUPLZMB-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine (CID 115279565) is 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine is Cc1cc(N)nc(SC(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is BFSQTPCUUPLZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)12-8-10-6(3)4-7(9)11-8/h4-5H,1-3H3,(H2,9,10,11).
What are the key properties of 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 115279565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).