N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine

C14H19N3OS — CID 62582277

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(C)nc(SCCNC(C)c2ccco2)n1
InChIInChI=1S/C14H19N3OS/c1-10-9-11(2)17-14(16-10)19-8-6-15-12(3)13-5-4-7-18-13/h4-5,7,9,12,15H,6,8H2,1-3H3
InChIKeyFOQFMNIVPWTCCZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine

N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine (PubChem CID 62582277) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
PubChem CID62582277
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
SMILESCc1cc(C)nc(SCCNC(C)c2ccco2)n1
InChIInChI=1S/C14H19N3OS/c1-10-9-11(2)17-14(16-10)19-8-6-15-12(3)13-5-4-7-18-13/h4-5,7,9,12,15H,6,8H2,1-3H3
InChIKeyFOQFMNIVPWTCCZ-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.13
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

1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62579783
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625
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-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
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
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447
N-[1-(furan-2-yl)ethyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691697
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine (CID 62582277) is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine is Cc1cc(C)nc(SCCNC(C)c2ccco2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is FOQFMNIVPWTCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-9-11(2)17-14(16-10)19-8-6-15-12(3)13-5-4-7-18-13/h4-5,7,9,12,15H,6,8H2,1-3H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine?
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).