1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine

C12H15N3OS — CID 91772179

IUPAC1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
SMILESCSc1ncc(CN(C)Cc2ccoc2)cn1
InChIInChI=1S/C12H15N3OS/c1-15(7-10-3-4-16-9-10)8-11-5-13-12(17-2)14-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyGBCMPERXPDRSDD-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.42
Rot. Bonds5

About 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine

1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine (PubChem CID 91772179) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
PubChem CID91772179
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
SMILESCSc1ncc(CN(C)Cc2ccoc2)cn1
InChIInChI=1S/C12H15N3OS/c1-15(7-10-3-4-16-9-10)8-11-5-13-12(17-2)14-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyGBCMPERXPDRSDD-UHFFFAOYSA-N
XLogP2.42
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 73440653
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749
5-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylpyridin-2-amine
CID 61421914
[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
CID 54970779
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
CID 61422691
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811
[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 114011948
1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115941314

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine (CID 91772179) is 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine is CSc1ncc(CN(C)Cc2ccoc2)cn1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is GBCMPERXPDRSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(7-10-3-4-16-9-10)8-11-5-13-12(17-2)14-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 91772179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).