N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine

C15H19N3S — CID 64648445

IUPACN-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1ncccn1
InChIInChI=1S/C15H19N3S/c1-3-16-14(13-8-5-4-6-9-13)12(2)19-15-17-10-7-11-18-15/h4-12,14,16H,3H2,1-2H3
InChIKeyYZBWUYIMOPYIAB-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine

N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine (PubChem CID 64648445) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
PubChem CID64648445
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1ncccn1
InChIInChI=1S/C15H19N3S/c1-3-16-14(13-8-5-4-6-9-13)12(2)19-15-17-10-7-11-18-15/h4-12,14,16H,3H2,1-2H3
InChIKeyYZBWUYIMOPYIAB-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
CID 64649430
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
CID 64649007
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylbutan-1-amine
CID 107784066
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
2-pyrimidin-2-ylsulfanylpentan-3-amine
CID 64649818
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine (CID 64648445) is N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine is CCNC(c1ccccc1)C(C)Sc1ncccn1.
What is the InChIKey of N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine?
The InChIKey is YZBWUYIMOPYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-16-14(13-8-5-4-6-9-13)12(2)19-15-17-10-7-11-18-15/h4-12,14,16H,3H2,1-2H3.
What are the key properties of N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine?
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 64648445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).