6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H16BrN3 — CID 80977211

IUPAC6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3/c1-8(2)14-17-12(9(3)13(16)18-14)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyXFZYXJGLEHBUKV-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.92
Rot. Bonds2

About 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80977211) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80977211
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3/c1-8(2)14-17-12(9(3)13(16)18-14)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyXFZYXJGLEHBUKV-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80977211) is 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XFZYXJGLEHBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8(2)14-17-12(9(3)13(16)18-14)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80977211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).