2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine

C11H12N4S — CID 63696933

IUPAC2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine
SMILESNCC(Sc1ccncn1)c1ccccn1
InChIInChI=1S/C11H12N4S/c12-7-10(9-3-1-2-5-14-9)16-11-4-6-13-8-15-11/h1-6,8,10H,7,12H2
InChIKeySCEVZGAXOWVKLB-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.66
Rot. Bonds4

About 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine

2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 63696933) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID63696933
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine
SMILESNCC(Sc1ccncn1)c1ccccn1
InChIInChI=1S/C11H12N4S/c12-7-10(9-3-1-2-5-14-9)16-11-4-6-13-8-15-11/h1-6,8,10H,7,12H2
InChIKeySCEVZGAXOWVKLB-UHFFFAOYSA-N
XLogP1.66
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromophenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55234684
2-pyridin-2-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65043575
2-(3-bromophenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225543
2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine
CID 63698333
3-phenyl-2-pyrimidin-4-ylsulfanylpropanoic acid
CID 61252592
2-pyridin-2-ylpropan-1-amine
CID 21481533
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
CID 55020002
3-pyrimidin-4-ylsulfanylheptan-4-amine
CID 64627649
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
2-(2-methoxy-1-methylsulfanylethyl)pyridine
CID 146229579
1-phenyl-2-pyrimidin-4-ylsulfanylpropan-1-one
CID 63698537

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine (CID 63696933) is 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine is NCC(Sc1ccncn1)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is SCEVZGAXOWVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c12-7-10(9-3-1-2-5-14-9)16-11-4-6-13-8-15-11/h1-6,8,10H,7,12H2.
What are the key properties of 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine?
2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 232.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 63696933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).