2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine

C14H15BrFN3 — CID 81442424

IUPAC2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C14H15BrFN3/c1-3-6-17-13-7-9(2)18-14(19-13)10-4-5-11(15)12(16)8-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeySJHDVRWBHFMVMX-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.18
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine

2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 81442424) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID81442424
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C14H15BrFN3/c1-3-6-17-13-7-9(2)18-14(19-13)10-4-5-11(15)12(16)8-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeySJHDVRWBHFMVMX-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 81442424) is 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2ccc(Br)c(F)c2)n1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is SJHDVRWBHFMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-3-6-17-13-7-9(2)18-14(19-13)10-4-5-11(15)12(16)8-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 81442424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).