N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine

C14H14FN3S — CID 55239640

IUPACN-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESFc1ccc(Sc2ccncn2)c(CNC2CC2)c1
InChIInChI=1S/C14H14FN3S/c15-11-1-4-13(19-14-5-6-16-9-18-14)10(7-11)8-17-12-2-3-12/h1,4-7,9,12,17H,2-3,8H2
InChIKeyDVLITUQFYYERLE-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.02
Rot. Bonds5

About N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine

N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine (PubChem CID 55239640) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
PubChem CID55239640
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC NameN-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESFc1ccc(Sc2ccncn2)c(CNC2CC2)c1
InChIInChI=1S/C14H14FN3S/c15-11-1-4-13(19-14-5-6-16-9-18-14)10(7-11)8-17-12-2-3-12/h1,4-7,9,12,17H,2-3,8H2
InChIKeyDVLITUQFYYERLE-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240971
N-[(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114864692
N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 114055422
5-fluoro-2-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63801901
3-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]sulfanylpropan-1-ol
CID 66126421
1-(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 63834992
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 63809715
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine (CID 55239640) is N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine is Fc1ccc(Sc2ccncn2)c(CNC2CC2)c1.
What is the InChIKey of N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The InChIKey is DVLITUQFYYERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c15-11-1-4-13(19-14-5-6-16-9-18-14)10(7-11)8-17-12-2-3-12/h1,4-7,9,12,17H,2-3,8H2.
What are the key properties of N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine has a molecular weight of 275.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 55239640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).