N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine

C13H21N3S — CID 62580286

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine
SMILESCc1cc(C)nc(SCCNC2CCCC2)n1
InChIInChI=1S/C13H21N3S/c1-10-9-11(2)16-13(15-10)17-8-7-14-12-5-3-4-6-12/h9,12,14H,3-8H2,1-2H3
InChIKeyWTVNVMOJHOYQSF-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine

N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine (PubChem CID 62580286) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine
PubChem CID62580286
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine
SMILESCc1cc(C)nc(SCCNC2CCCC2)n1
InChIInChI=1S/C13H21N3S/c1-10-9-11(2)16-13(15-10)17-8-7-14-12-5-3-4-6-12/h9,12,14H,3-8H2,1-2H3
InChIKeyWTVNVMOJHOYQSF-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrimidin-2-ylsulfanylethyl)cyclopentanamine
CID 62576130
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
N-[3-(3,4-dimethylphenyl)sulfanylpropyl]cyclopentanamine
CID 55092477
2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 55092352
N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine
CID 63098672
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
CID 102925905
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethylsulfanyl]-4,6-dimethylpyrimidine
CID 802777
4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
4-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 62581569

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine (CID 62580286) is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine is Cc1cc(C)nc(SCCNC2CCCC2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine?
The InChIKey is WTVNVMOJHOYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-9-11(2)16-13(15-10)17-8-7-14-12-5-3-4-6-12/h9,12,14H,3-8H2,1-2H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine?
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine has a molecular weight of 251.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine is sourced from PubChem (CID 62580286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).