2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine

C14H16BrN3 — CID 66300487

IUPAC2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2ccccc2)nc(N)c1Br
InChIInChI=1S/C14H16BrN3/c1-9(2)13-12(15)14(16)18-11(17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyCAZZGGGTNYNIFZ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.54
Rot. Bonds3

About 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine

2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300487) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300487
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2ccccc2)nc(N)c1Br
InChIInChI=1S/C14H16BrN3/c1-9(2)13-12(15)14(16)18-11(17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyCAZZGGGTNYNIFZ-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine (CID 66300487) is 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2ccccc2)nc(N)c1Br.
What is the InChIKey of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CAZZGGGTNYNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9(2)13-12(15)14(16)18-11(17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).