N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine

C14H14ClN3 — CID 66160891

IUPACN-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
SMILESClc1ccc(-c2cncnc2)c(CNC2CC2)c1
InChIInChI=1S/C14H14ClN3/c15-12-1-4-14(11-6-16-9-17-7-11)10(5-12)8-18-13-2-3-13/h1,4-7,9,13,18H,2-3,8H2
InChIKeyYTBRNEJVYKKSNU-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.05
Rot. Bonds4

About N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine

N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine (PubChem CID 66160891) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
PubChem CID66160891
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC NameN-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
SMILESClc1ccc(-c2cncnc2)c(CNC2CC2)c1
InChIInChI=1S/C14H14ClN3/c15-12-1-4-14(11-6-16-9-17-7-11)10(5-12)8-18-13-2-3-13/h1,4-7,9,13,18H,2-3,8H2
InChIKeyYTBRNEJVYKKSNU-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
CID 66158934
N-[[5-chloro-2-(3-nitrophenyl)phenyl]methyl]cyclopropanamine
CID 66160692
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine (CID 66160891) is N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine is Clc1ccc(-c2cncnc2)c(CNC2CC2)c1.
What is the InChIKey of N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine?
The InChIKey is YTBRNEJVYKKSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-12-1-4-14(11-6-16-9-17-7-11)10(5-12)8-18-13-2-3-13/h1,4-7,9,13,18H,2-3,8H2.
What are the key properties of N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine?
N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine has a molecular weight of 259.74 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 66160891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).