3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine

C18H31N5S — CID 75439543

IUPAC3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine
SMILESCCSC1CCC(N(C)Cc2cnc(N3CCN(C)CC3)nc2)C1
InChIInChI=1S/C18H31N5S/c1-4-24-17-6-5-16(11-17)22(3)14-15-12-19-18(20-13-15)23-9-7-21(2)8-10-23/h12-13,16-17H,4-11,14H2,1-3H3
InChIKeyWWIJLXIVDQEAIH-UHFFFAOYSA-N
MW349.55 g/mol
LogP2.33
Rot. Bonds6

About 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine

3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine (PubChem CID 75439543) has the molecular formula C18H31N5S and a molecular weight of 349.55 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine
PubChem CID75439543
Molecular FormulaC18H31N5S
Molecular Weight349.55 g/mol
Exact Mass349.23
IUPAC Name3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine
SMILESCCSC1CCC(N(C)Cc2cnc(N3CCN(C)CC3)nc2)C1
InChIInChI=1S/C18H31N5S/c1-4-24-17-6-5-16(11-17)22(3)14-15-12-19-18(20-13-15)23-9-7-21(2)8-10-23/h12-13,16-17H,4-11,14H2,1-3H3
InChIKeyWWIJLXIVDQEAIH-UHFFFAOYSA-N
XLogP2.33
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine with MolForge

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Related Compounds

cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine
CID 99106844
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 96519480
N-methyl-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 62184630
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine
CID 166194806
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 63886661
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005007
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 103060809

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine (CID 75439543) is 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine is CCSC1CCC(N(C)Cc2cnc(N3CCN(C)CC3)nc2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is WWIJLXIVDQEAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5S/c1-4-24-17-6-5-16(11-17)22(3)14-15-12-19-18(20-13-15)23-9-7-21(2)8-10-23/h12-13,16-17H,4-11,14H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine?
3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 349.55 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 75439543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).