N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine

C17H22FN3OS — CID 46983189

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCCSc1ncc(CN(CCOC)Cc2ccccc2F)cn1
InChIInChI=1S/C17H22FN3OS/c1-3-23-17-19-10-14(11-20-17)12-21(8-9-22-2)13-15-6-4-5-7-16(15)18/h4-7,10-11H,3,8-9,12-13H2,1-2H3
InChIKeyDYVRELMPCNFWBG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.38
Rot. Bonds9

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine (PubChem CID 46983189) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine
PubChem CID46983189
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCCSc1ncc(CN(CCOC)Cc2ccccc2F)cn1
InChIInChI=1S/C17H22FN3OS/c1-3-23-17-19-10-14(11-20-17)12-21(8-9-22-2)13-15-6-4-5-7-16(15)18/h4-7,10-11H,3,8-9,12-13H2,1-2H3
InChIKeyDYVRELMPCNFWBG-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)benzylamine
CID 660212
2-(Allylsulfanyl)-5-phenylpyrimidine
CID 5162256
2-Benzylsulfanyl-1-(2-methoxy-ethyl)-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470436
N-[(4-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 118190221
Ethyl 2-[(5-phenyl-2-pyrimidinyl)sulfanyl]acetate
CID 1483987
Ethyl 2-[(5-phenyl-2-pyrimidinyl)sulfanyl]propanoate
CID 3606210
N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 118190313
N-[(4-fluorophenyl)methyl]-2-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 45900972
4-Benzyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743013
2-Benzylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 13317021
2-[(4-Fluorobenzyl)sulfanyl]pyrimidine
CID 893419
4-[5-(4-Fluorophenyl)pyrimidin-2-yl]morpholine
CID 4061604

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine (CID 46983189) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine is CCSc1ncc(CN(CCOC)Cc2ccccc2F)cn1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is DYVRELMPCNFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-3-23-17-19-10-14(11-20-17)12-21(8-9-22-2)13-15-6-4-5-7-16(15)18/h4-7,10-11H,3,8-9,12-13H2,1-2H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 335.45 g/mol, XLogP of 3.38, 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-[(2-fluorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 46983189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).