2-[(5-methylpyrimidin-2-yl)amino]ethanethiol

C7H11N3S — CID 116975357

IUPAC2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
SMILESCc1cnc(NCCS)nc1
InChIInChI=1S/C7H11N3S/c1-6-4-9-7(10-5-6)8-2-3-11/h4-5,11H,2-3H2,1H3,(H,8,9,10)
InChIKeyGTFJHITZGWQWEL-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.13
Rot. Bonds3

About 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol

2-[(5-methylpyrimidin-2-yl)amino]ethanethiol (PubChem CID 116975357) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol.

Molecular Properties

Compound Name2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
PubChem CID116975357
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
SMILESCc1cnc(NCCS)nc1
InChIInChI=1S/C7H11N3S/c1-6-4-9-7(10-5-6)8-2-3-11/h4-5,11H,2-3H2,1H3,(H,8,9,10)
InChIKeyGTFJHITZGWQWEL-UHFFFAOYSA-N
XLogP1.13
TPSA37.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-octylpyrimidin-2-amine
CID 115568974
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
2-[[5-(4-chlorophenyl)pyrimidin-2-yl]amino]ethanethiol
CID 116975365
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
N-but-2-ynyl-5-methylpyrimidin-2-amine
CID 115903936
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115
5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 63208478
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
CID 64597150
2-N,2-dimethyl-1-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 116975426
5-methyl-N-(2-piperidin-4-ylethyl)pyrimidin-2-amine
CID 116975989
2-[[5-(2-bromophenyl)pyrimidin-2-yl]amino]ethanethiol
CID 116975393
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol?
The IUPAC name of 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol (CID 116975357) is 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol.
What is the SMILES notation for 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol?
The canonical SMILES for 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol is Cc1cnc(NCCS)nc1.
What is the InChIKey of 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol?
The InChIKey is GTFJHITZGWQWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-6-4-9-7(10-5-6)8-2-3-11/h4-5,11H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol?
2-[(5-methylpyrimidin-2-yl)amino]ethanethiol has a molecular weight of 169.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrimidin-2-yl)amino]ethanethiol is sourced from PubChem (CID 116975357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).