5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine

C14H14BrF2N3 — CID 115525347

IUPAC5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C(F)F)cc2)ncc1Br
InChIInChI=1S/C14H14BrF2N3/c1-2-7-18-14-11(15)8-19-13(20-14)10-5-3-9(4-6-10)12(16)17/h3-6,8,12H,2,7H2,1H3,(H,18,19,20)
InChIKeyQJRGNGZFGVKFGA-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.67
Rot. Bonds5

About 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine

5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine (PubChem CID 115525347) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
PubChem CID115525347
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C(F)F)cc2)ncc1Br
InChIInChI=1S/C14H14BrF2N3/c1-2-7-18-14-11(15)8-19-13(20-14)10-5-3-9(4-6-10)12(16)17/h3-6,8,12H,2,7H2,1H3,(H,18,19,20)
InChIKeyQJRGNGZFGVKFGA-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66295682
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850
5-bromo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66301653
5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 114554374
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
CID 66297613
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980210
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
5-(difluoromethyl)-N-propylpyridin-2-amine
CID 130559266

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine (CID 115525347) is 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(C(F)F)cc2)ncc1Br.
What is the InChIKey of 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine?
The InChIKey is QJRGNGZFGVKFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c1-2-7-18-14-11(15)8-19-13(20-14)10-5-3-9(4-6-10)12(16)17/h3-6,8,12H,2,7H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine?
5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine has a molecular weight of 342.19 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115525347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).