2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine

C13H21N3S — CID 65140510

IUPAC2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(CSC1CCCC1)c1cncnc1
InChIInChI=1S/C13H21N3S/c1-2-16-13(11-7-14-10-15-8-11)9-17-12-5-3-4-6-12/h7-8,10,12-13,16H,2-6,9H2,1H3
InChIKeyXDFCDXVPQCMTME-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.80
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine

2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine (PubChem CID 65140510) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
PubChem CID65140510
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(CSC1CCCC1)c1cncnc1
InChIInChI=1S/C13H21N3S/c1-2-16-13(11-7-14-10-15-8-11)9-17-12-5-3-4-6-12/h7-8,10,12-13,16H,2-6,9H2,1H3
InChIKeyXDFCDXVPQCMTME-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
CID 116544464
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654144
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923393
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine (CID 65140510) is 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine is CCNC(CSC1CCCC1)c1cncnc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine?
The InChIKey is XDFCDXVPQCMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-16-13(11-7-14-10-15-8-11)9-17-12-5-3-4-6-12/h7-8,10,12-13,16H,2-6,9H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine?
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine has a molecular weight of 251.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 65140510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).