N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine

C16H23N3OS — CID 46983650

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1cnc(SCC)nc1)Cc1ccco1
InChIInChI=1S/C16H23N3OS/c1-3-5-8-19(13-15-7-6-9-20-15)12-14-10-17-16(18-11-14)21-4-2/h6-7,9-11H,3-5,8,12-13H2,1-2H3
InChIKeySIZUGBBOKQEUOW-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.98
Rot. Bonds9

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine (PubChem CID 46983650) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
PubChem CID46983650
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1cnc(SCC)nc1)Cc1ccco1
InChIInChI=1S/C16H23N3OS/c1-3-5-8-19(13-15-7-6-9-20-15)12-14-10-17-16(18-11-14)21-4-2/h6-7,9-11H,3-5,8,12-13H2,1-2H3
InChIKeySIZUGBBOKQEUOW-UHFFFAOYSA-N
XLogP3.98
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46990481
N-(furan-2-ylmethyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]butan-1-amine
CID 46982555
N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
CID 46989025
N-(furan-2-ylmethyl)-2-methoxy-N-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]ethanamine
CID 166276030
N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine
CID 83969290
4-[[butyl(furan-2-ylmethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
CID 18361003
2-[[bis(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-5-carboxylic acid
CID 123545327
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine (CID 46983650) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine is CCCCN(Cc1cnc(SCC)nc1)Cc1ccco1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
The InChIKey is SIZUGBBOKQEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-5-8-19(13-15-7-6-9-20-15)12-14-10-17-16(18-11-14)21-4-2/h6-7,9-11H,3-5,8,12-13H2,1-2H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 46983650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).