1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine

C12H19N3S — CID 104755698

IUPAC1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
SMILESCNC(CSc1ccncn1)C1CCCC1
InChIInChI=1S/C12H19N3S/c1-13-11(10-4-2-3-5-10)8-16-12-6-7-14-9-15-12/h6-7,9-11,13H,2-5,8H2,1H3
InChIKeyMBODERBKHLJNSX-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine

1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 104755698) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID104755698
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
SMILESCNC(CSc1ccncn1)C1CCCC1
InChIInChI=1S/C12H19N3S/c1-13-11(10-4-2-3-5-10)8-16-12-6-7-14-9-15-12/h6-7,9-11,13H,2-5,8H2,1H3
InChIKeyMBODERBKHLJNSX-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755526
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
CID 113449556
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
CID 63696968
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
N-(dicyclopropylmethyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225940
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine (CID 104755698) is 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine is CNC(CSc1ccncn1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is MBODERBKHLJNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-11(10-4-2-3-5-10)8-16-12-6-7-14-9-15-12/h6-7,9-11,13H,2-5,8H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine?
1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 104755698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).