5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine

C14H15BrFN3 — CID 81277953

IUPAC5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(F)ccc1-c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C14H15BrFN3/c1-7(2)12-11(15)13(17)19-14(18-12)10-5-4-9(16)6-8(10)3/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyAWCVBFSKYGYJKJ-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.06
Rot. Bonds2

About 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 81277953) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID81277953
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(F)ccc1-c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C14H15BrFN3/c1-7(2)12-11(15)13(17)19-14(18-12)10-5-4-9(16)6-8(10)3/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyAWCVBFSKYGYJKJ-UHFFFAOYSA-N
XLogP4.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine (CID 81277953) is 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine is Cc1cc(F)ccc1-c1nc(N)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is AWCVBFSKYGYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-7(2)12-11(15)13(17)19-14(18-12)10-5-4-9(16)6-8(10)3/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81277953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).