5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C14H14BrF2N3 — CID 66299309

IUPAC5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2cc(F)cc(F)c2)nc(N)c1Br
InChIInChI=1S/C14H14BrF2N3/c1-7(2)13-12(15)14(18)20-11(19-13)5-8-3-9(16)6-10(17)4-8/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
InChIKeyUGPRKVHUPKYRDZ-UHFFFAOYSA-N
MW342.19 g/mol
LogP3.81
Rot. Bonds3

About 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66299309) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID66299309
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2cc(F)cc(F)c2)nc(N)c1Br
InChIInChI=1S/C14H14BrF2N3/c1-7(2)13-12(15)14(18)20-11(19-13)5-8-3-9(16)6-10(17)4-8/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20)
InChIKeyUGPRKVHUPKYRDZ-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 66299309) is 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2cc(F)cc(F)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is UGPRKVHUPKYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c1-7(2)13-12(15)14(18)20-11(19-13)5-8-3-9(16)6-10(17)4-8/h3-4,6-7H,5H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 342.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66299309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).