N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine

C18H16BrN3O — CID 42553027

IUPACN-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine
SMILESBrc1cnc(NCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C18H16BrN3O/c19-16-12-21-18(20-11-14-7-3-1-4-8-14)22-17(16)23-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,21,22)
InChIKeyOWAQGZVVTHQXOM-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.43
Rot. Bonds6

About N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine

N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine (PubChem CID 42553027) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine
PubChem CID42553027
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine
SMILESBrc1cnc(NCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C18H16BrN3O/c19-16-12-21-18(20-11-14-7-3-1-4-8-14)22-17(16)23-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,21,22)
InChIKeyOWAQGZVVTHQXOM-UHFFFAOYSA-N
XLogP4.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine (CID 42553027) is N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine is Brc1cnc(NCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine?
The InChIKey is OWAQGZVVTHQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-16-12-21-18(20-11-14-7-3-1-4-8-14)22-17(16)23-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,21,22).
What are the key properties of N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine?
N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine has a molecular weight of 370.25 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 42553027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).