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

C12H19N3S — CID 65138669

IUPAC2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(CSC1CCCC1)c1cncnc1
InChIInChI=1S/C12H19N3S/c1-13-12(10-6-14-9-15-7-10)8-16-11-4-2-3-5-11/h6-7,9,11-13H,2-5,8H2,1H3
InChIKeyQUXZJRCTCWDABZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.41
Rot. Bonds5

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

2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 65138669) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID65138669
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(CSC1CCCC1)c1cncnc1
InChIInChI=1S/C12H19N3S/c1-13-12(10-6-14-9-15-7-10)8-16-11-4-2-3-5-11/h6-7,9,11-13H,2-5,8H2,1H3
InChIKeyQUXZJRCTCWDABZ-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
3-cyclopropyl-N-methyl-1-pyrimidin-5-ylpropan-1-amine
CID 102923524
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65144434
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457
2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
CID 81228669
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288990
2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine (CID 65138669) is 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine is CNC(CSC1CCCC1)c1cncnc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is QUXZJRCTCWDABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-12(10-6-14-9-15-7-10)8-16-11-4-2-3-5-11/h6-7,9,11-13H,2-5,8H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 65138669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).