(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine

C12H14N4S — CID 103938124

IUPAC(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ncccn2)cn1
InChIInChI=1S/C12H14N4S/c1-2-10(13)11-5-4-9(8-16-11)17-12-14-6-3-7-15-12/h3-8,10H,2,13H2,1H3/t10-/m0/s1
InChIKeySTEVENGXYFKKAO-JTQLQIEISA-N
MW246.34 g/mol
LogP2.43
Rot. Bonds4

About (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine

(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine (PubChem CID 103938124) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
PubChem CID103938124
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ncccn2)cn1
InChIInChI=1S/C12H14N4S/c1-2-10(13)11-5-4-9(8-16-11)17-12-14-6-3-7-15-12/h3-8,10H,2,13H2,1H3/t10-/m0/s1
InChIKeySTEVENGXYFKKAO-JTQLQIEISA-N
XLogP2.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 103938223
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine (CID 103938124) is (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine is CC[C@H](N)c1ccc(Sc2ncccn2)cn1.
What is the InChIKey of (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
The InChIKey is STEVENGXYFKKAO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-10(13)11-5-4-9(8-16-11)17-12-14-6-3-7-15-12/h3-8,10H,2,13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine has a molecular weight of 246.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 103938124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).