6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine

C14H14BrF2N3 — CID 106943797

IUPAC6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2c(F)ccc(Br)c2F)n1
InChIInChI=1S/C14H14BrF2N3/c1-3-4-10-19-13(7(2)14(18)20-10)11-9(16)6-5-8(15)12(11)17/h5-6H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyPHHRKZWSOAQPTQ-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.03
Rot. Bonds3

About 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine

6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 106943797) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID106943797
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2c(F)ccc(Br)c2F)n1
InChIInChI=1S/C14H14BrF2N3/c1-3-4-10-19-13(7(2)14(18)20-10)11-9(16)6-5-8(15)12(11)17/h5-6H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyPHHRKZWSOAQPTQ-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 106943797) is 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2c(F)ccc(Br)c2F)n1.
What is the InChIKey of 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is PHHRKZWSOAQPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c1-3-4-10-19-13(7(2)14(18)20-10)11-9(16)6-5-8(15)12(11)17/h5-6H,3-4H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 342.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106943797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).