N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine

C11H9BrFN3 — CID 107587862

IUPACN-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
SMILESFc1cc(CNc2cncnc2)ccc1Br
InChIInChI=1S/C11H9BrFN3/c12-10-2-1-8(3-11(10)13)4-16-9-5-14-7-15-6-9/h1-3,5-7,16H,4H2
InChIKeyZCVTWPHWTZDZOH-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.99
Rot. Bonds3

About N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine

N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine (PubChem CID 107587862) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
PubChem CID107587862
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
SMILESFc1cc(CNc2cncnc2)ccc1Br
InChIInChI=1S/C11H9BrFN3/c12-10-2-1-8(3-11(10)13)4-16-9-5-14-7-15-6-9/h1-3,5-7,16H,4H2
InChIKeyZCVTWPHWTZDZOH-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 81432293
N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924514
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279
4-[(4-bromo-3-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788315
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
CID 59777379

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine (CID 107587862) is N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine is Fc1cc(CNc2cncnc2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine?
The InChIKey is ZCVTWPHWTZDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-10-2-1-8(3-11(10)13)4-16-9-5-14-7-15-6-9/h1-3,5-7,16H,4H2.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine?
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine has a molecular weight of 282.12 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107587862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).