2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine

C10H10N4S — CID 80890422

IUPAC2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
SMILESCc1nc(N)cc(Sc2ccncc2)n1
InChIInChI=1S/C10H10N4S/c1-7-13-9(11)6-10(14-7)15-8-2-4-12-5-3-8/h2-6H,1H3,(H2,11,13,14)
InChIKeyHDRXOTPMNBDIPZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.91
Rot. Bonds2

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

2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine (PubChem CID 80890422) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
PubChem CID80890422
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
SMILESCc1nc(N)cc(Sc2ccncc2)n1
InChIInChI=1S/C10H10N4S/c1-7-13-9(11)6-10(14-7)15-8-2-4-12-5-3-8/h2-6H,1H3,(H2,11,13,14)
InChIKeyHDRXOTPMNBDIPZ-UHFFFAOYSA-N
XLogP1.91
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine (CID 80890422) is 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine is Cc1nc(N)cc(Sc2ccncc2)n1.
What is the InChIKey of 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine?
The InChIKey is HDRXOTPMNBDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-13-9(11)6-10(14-7)15-8-2-4-12-5-3-8/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine?
2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine has a molecular weight of 218.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).