N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine

C17H16BrN5 — CID 166361765

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine
SMILESNCc1ccccc1CNc1ccnc(-c2cncc(Br)c2)n1
InChIInChI=1S/C17H16BrN5/c18-15-7-14(9-20-11-15)17-21-6-5-16(23-17)22-10-13-4-2-1-3-12(13)8-19/h1-7,9,11H,8,10,19H2,(H,21,22,23)
InChIKeyUQHKNKDFADFGTM-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.37
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine

N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine (PubChem CID 166361765) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine
PubChem CID166361765
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine
SMILESNCc1ccccc1CNc1ccnc(-c2cncc(Br)c2)n1
InChIInChI=1S/C17H16BrN5/c18-15-7-14(9-20-11-15)17-21-6-5-16(23-17)22-10-13-4-2-1-3-12(13)8-19/h1-7,9,11H,8,10,19H2,(H,21,22,23)
InChIKeyUQHKNKDFADFGTM-UHFFFAOYSA-N
XLogP3.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine (CID 166361765) is N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine is NCc1ccccc1CNc1ccnc(-c2cncc(Br)c2)n1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is UQHKNKDFADFGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c18-15-7-14(9-20-11-15)17-21-6-5-16(23-17)22-10-13-4-2-1-3-12(13)8-19/h1-7,9,11H,8,10,19H2,(H,21,22,23).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine?
N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 370.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 166361765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).