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

C13H17N3OS — CID 73440653

IUPAC1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
SMILESCSc1ncc(CN(C)C(C)c2ccco2)cn1
InChIInChI=1S/C13H17N3OS/c1-10(12-5-4-6-17-12)16(2)9-11-7-14-13(18-3)15-8-11/h4-8,10H,9H2,1-3H3
InChIKeyDWGFGJONAJIFIT-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.98
Rot. Bonds5

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

1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 73440653) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
PubChem CID73440653
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
SMILESCSc1ncc(CN(C)C(C)c2ccco2)cn1
InChIInChI=1S/C13H17N3OS/c1-10(12-5-4-6-17-12)16(2)9-11-7-14-13(18-3)15-8-11/h4-8,10H,9H2,1-3H3
InChIKeyDWGFGJONAJIFIT-UHFFFAOYSA-N
XLogP2.98
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
1-(furan-2-yl)-N-methyl-N-[(4-pyrazin-2-yloxyphenyl)methyl]ethanamine
CID 75438545
(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine
CID 95857323
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine
CID 50952494
3-chloro-2-[[1-(furan-2-yl)ethyl-methylamino]methyl]benzoic acid
CID 138003731
2-[3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135948717
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 77096662
N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 95211220
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
1-(furan-2-yl)-N-(2-phenylethyl)-N-trimethylsilylethanamine
CID 10085468

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine (CID 73440653) is 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine is CSc1ncc(CN(C)C(C)c2ccco2)cn1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is DWGFGJONAJIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10(12-5-4-6-17-12)16(2)9-11-7-14-13(18-3)15-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine?
1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 73440653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).