N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine

C15H16BrN3 — CID 62755336

IUPACN-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cc2ncc(CNC3CC3)cn2)cc1
InChIInChI=1S/C15H16BrN3/c16-13-3-1-11(2-4-13)7-15-18-9-12(10-19-15)8-17-14-5-6-14/h1-4,9-10,14,17H,5-8H2
InChIKeyCOLFRNMTHQZWQM-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.08
Rot. Bonds5

About N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 62755336) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID62755336
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC NameN-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cc2ncc(CNC3CC3)cn2)cc1
InChIInChI=1S/C15H16BrN3/c16-13-3-1-11(2-4-13)7-15-18-9-12(10-19-15)8-17-14-5-6-14/h1-4,9-10,14,17H,5-8H2
InChIKeyCOLFRNMTHQZWQM-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757142
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine (CID 62755336) is N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine is Brc1ccc(Cc2ncc(CNC3CC3)cn2)cc1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is COLFRNMTHQZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c16-13-3-1-11(2-4-13)7-15-18-9-12(10-19-15)8-17-14-5-6-14/h1-4,9-10,14,17H,5-8H2.
What are the key properties of N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 318.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62755336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).