N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine

C15H16BrN3S — CID 66145080

IUPACN-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1SCc1nccc(CNC2CC2)n1
InChIInChI=1S/C15H16BrN3S/c16-13-3-1-2-4-14(13)20-10-15-17-8-7-12(19-15)9-18-11-5-6-11/h1-4,7-8,11,18H,5-6,9-10H2
InChIKeySFZKICBTCBRYCS-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.78
Rot. Bonds6

About N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 66145080) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID66145080
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC NameN-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1SCc1nccc(CNC2CC2)n1
InChIInChI=1S/C15H16BrN3S/c16-13-3-1-2-4-14(13)20-10-15-17-8-7-12(19-15)9-18-11-5-6-11/h1-4,7-8,11,18H,5-6,9-10H2
InChIKeySFZKICBTCBRYCS-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 66143136
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
3-[(2-bromophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 66144310
N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749008
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345
N-[2-(2-bromophenyl)sulfanylethyl]cycloheptanamine
CID 63515807
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 55119707
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65405051
N-[[2-(4-propan-2-ylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749529
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine (CID 66145080) is N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine is Brc1ccccc1SCc1nccc(CNC2CC2)n1.
What is the InChIKey of N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is SFZKICBTCBRYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c16-13-3-1-2-4-14(13)20-10-15-17-8-7-12(19-15)9-18-11-5-6-11/h1-4,7-8,11,18H,5-6,9-10H2.
What are the key properties of N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 350.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66145080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).