N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine

C15H19N3S — CID 65143673

IUPACN-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
SMILESCCCNC(CSc1ccccc1)c1cncnc1
InChIInChI=1S/C15H19N3S/c1-2-8-18-15(13-9-16-12-17-10-13)11-19-14-6-4-3-5-7-14/h3-7,9-10,12,15,18H,2,8,11H2,1H3
InChIKeyGGQPLOAZWQMMTA-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.31
Rot. Bonds7

About N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine

N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine (PubChem CID 65143673) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
PubChem CID65143673
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
SMILESCCCNC(CSc1ccccc1)c1cncnc1
InChIInChI=1S/C15H19N3S/c1-2-8-18-15(13-9-16-12-17-10-13)11-19-14-6-4-3-5-7-14/h3-7,9-10,12,15,18H,2,8,11H2,1H3
InChIKeyGGQPLOAZWQMMTA-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
CID 65143289
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 66071816
N-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
N-[2-(4-bromophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66056115
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
5,5-dimethyl-N-propyl-1-pyrimidin-5-ylhexan-1-amine
CID 114211038
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine?
The IUPAC name of N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine (CID 65143673) is N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine is CCCNC(CSc1ccccc1)c1cncnc1.
What is the InChIKey of N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine?
The InChIKey is GGQPLOAZWQMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-8-18-15(13-9-16-12-17-10-13)11-19-14-6-4-3-5-7-14/h3-7,9-10,12,15,18H,2,8,11H2,1H3.
What are the key properties of N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine?
N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine has a molecular weight of 273.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine is sourced from PubChem (CID 65143673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).