1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine

C13H17N3OS — CID 62579783

IUPAC1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCc1cnc(SCCNC(C)c2ccco2)nc1
InChIInChI=1S/C13H17N3OS/c1-10-8-15-13(16-9-10)18-7-5-14-11(2)12-4-3-6-17-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3
InChIKeyPHFFDRIDSZQNGD-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.82
Rot. Bonds6

About 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine

1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine (PubChem CID 62579783) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
PubChem CID62579783
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCc1cnc(SCCNC(C)c2ccco2)nc1
InChIInChI=1S/C13H17N3OS/c1-10-8-15-13(16-9-10)18-7-5-14-11(2)12-4-3-6-17-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3
InChIKeyPHFFDRIDSZQNGD-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 62582277
3-methyl-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]butan-2-amine
CID 62582326
1-(furan-2-yl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55091940
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625
1-(furan-2-yl)-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 115383688
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578864
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81403640
N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 62580330
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine (CID 62579783) is 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine is Cc1cnc(SCCNC(C)c2ccco2)nc1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The InChIKey is PHFFDRIDSZQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-8-15-13(16-9-10)18-7-5-14-11(2)12-4-3-6-17-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine is sourced from PubChem (CID 62579783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).