2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride

C13H17ClN4S2 — CID 70286023

IUPAC2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride
SMILESCSc1cc(N)nc(SCCc2cc(C)ccn2)n1.Cl
InChIInChI=1S/C13H16N4S2.ClH/c1-9-3-5-15-10(7-9)4-6-19-13-16-11(14)8-12(17-13)18-2;/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,17);1H
InChIKeyHMTRRXWQJCMZSC-UHFFFAOYSA-N
MW328.89 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride

2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride (PubChem CID 70286023) has the molecular formula C13H17ClN4S2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride
PubChem CID70286023
Molecular FormulaC13H17ClN4S2
Molecular Weight328.89 g/mol
Exact Mass328.06
IUPAC Name2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride
SMILESCSc1cc(N)nc(SCCc2cc(C)ccn2)n1.Cl
InChIInChI=1S/C13H16N4S2.ClH/c1-9-3-5-15-10(7-9)4-6-19-13-16-11(14)8-12(17-13)18-2;/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,17);1H
InChIKeyHMTRRXWQJCMZSC-UHFFFAOYSA-N
XLogP3.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride (CID 70286023) is 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride is CSc1cc(N)nc(SCCc2cc(C)ccn2)n1.Cl.
What is the InChIKey of 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride?
The InChIKey is HMTRRXWQJCMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2.ClH/c1-9-3-5-15-10(7-9)4-6-19-13-16-11(14)8-12(17-13)18-2;/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,17);1H.
What are the key properties of 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride?
2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-pyridinyl)ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 70286023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).