N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine

C12H15N3OS2 — CID 80893554

IUPACN-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(SCc2ccco2)nc(SC)n1
InChIInChI=1S/C12H15N3OS2/c1-3-13-10-7-11(15-12(14-10)17-2)18-8-9-5-4-6-16-9/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyYUYIOPPFHNTJTR-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80893554) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80893554
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(SCc2ccco2)nc(SC)n1
InChIInChI=1S/C12H15N3OS2/c1-3-13-10-7-11(15-12(14-10)17-2)18-8-9-5-4-6-16-9/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyYUYIOPPFHNTJTR-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
[2-(ethoxymethyl)-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 113402000
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
CID 106928540
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
6-[(4-chlorophenyl)methylsulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 114793040
6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81174173
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine (CID 80893554) is N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(SCc2ccco2)nc(SC)n1.
What is the InChIKey of N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is YUYIOPPFHNTJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-3-13-10-7-11(15-12(14-10)17-2)18-8-9-5-4-6-16-9/h4-7H,3,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 281.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80893554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).