N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine

C15H20N4S — CID 115940259

IUPACN-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCCCNC(CC)c1ccc(Sc2ncccn2)cn1
InChIInChI=1S/C15H20N4S/c1-3-8-16-13(4-2)14-7-6-12(11-19-14)20-15-17-9-5-10-18-15/h5-7,9-11,13,16H,3-4,8H2,1-2H3
InChIKeyRZTRAQCZXLASGA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.47
Rot. Bonds7

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

N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine (PubChem CID 115940259) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
PubChem CID115940259
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCCCNC(CC)c1ccc(Sc2ncccn2)cn1
InChIInChI=1S/C15H20N4S/c1-3-8-16-13(4-2)14-7-6-12(11-19-14)20-15-17-9-5-10-18-15/h5-7,9-11,13,16H,3-4,8H2,1-2H3
InChIKeyRZTRAQCZXLASGA-UHFFFAOYSA-N
XLogP3.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine
CID 115940347
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
The IUPAC name of N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine (CID 115940259) is N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine is CCCNC(CC)c1ccc(Sc2ncccn2)cn1.
What is the InChIKey of N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
The InChIKey is RZTRAQCZXLASGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-8-16-13(4-2)14-7-6-12(11-19-14)20-15-17-9-5-10-18-15/h5-7,9-11,13,16H,3-4,8H2,1-2H3.
What are the key properties of N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine?
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115940259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).