N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine

C14H13BrFN3 — CID 107924211

IUPACN-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(Br)c(-c2ncc(CNC3CC3)cn2)c1
InChIInChI=1S/C14H13BrFN3/c15-13-4-1-10(16)5-12(13)14-18-7-9(8-19-14)6-17-11-2-3-11/h1,4-5,7-8,11,17H,2-3,6H2
InChIKeyQIPBUJNSIQGCKS-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.30
Rot. Bonds4

About N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 107924211) has the molecular formula C14H13BrFN3 and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID107924211
Molecular FormulaC14H13BrFN3
Molecular Weight322.18 g/mol
Exact Mass321.03
IUPAC NameN-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(Br)c(-c2ncc(CNC3CC3)cn2)c1
InChIInChI=1S/C14H13BrFN3/c15-13-4-1-10(16)5-12(13)14-18-7-9(8-19-14)6-17-11-2-3-11/h1,4-5,7-8,11,17H,2-3,6H2
InChIKeyQIPBUJNSIQGCKS-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 115568435
N-[[2-(5-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 104790829
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065577
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62756229
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107627683

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 107924211) is N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine is Fc1ccc(Br)c(-c2ncc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is QIPBUJNSIQGCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3/c15-13-4-1-10(16)5-12(13)14-18-7-9(8-19-14)6-17-11-2-3-11/h1,4-5,7-8,11,17H,2-3,6H2.
What are the key properties of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 322.18 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107924211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).