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

C14H14BrF2N3 — CID 107539712

IUPAC2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccc(F)c(F)c2Br)n1
InChIInChI=1S/C14H14BrF2N3/c1-3-4-8-7-11(18-2)20-14(19-8)9-5-6-10(16)13(17)12(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyGHQZLINWLYXADP-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.18
Rot. Bonds4

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

2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 107539712) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID107539712
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccc(F)c(F)c2Br)n1
InChIInChI=1S/C14H14BrF2N3/c1-3-4-8-7-11(18-2)20-14(19-8)9-5-6-10(16)13(17)12(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyGHQZLINWLYXADP-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114330950
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114454521
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107539760
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 83091370
2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 79584315
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867494
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 107539712) is 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2ccc(F)c(F)c2Br)n1.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is GHQZLINWLYXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c1-3-4-8-7-11(18-2)20-14(19-8)9-5-6-10(16)13(17)12(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 342.19 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-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 107539712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).