N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine

C11H6BrClF3N3 — CID 88951843

IUPACN-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cnc(Cl)nc1Nc1cccc(Br)c1
InChIInChI=1S/C11H6BrClF3N3/c12-6-2-1-3-7(4-6)18-9-8(11(14,15)16)5-17-10(13)19-9/h1-5H,(H,17,18,19)
InChIKeyQCPKWORBDYZZRX-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.65
Rot. Bonds2

About N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine

N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 88951843) has the molecular formula C11H6BrClF3N3 and a molecular weight of 352.54 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID88951843
Molecular FormulaC11H6BrClF3N3
Molecular Weight352.54 g/mol
Exact Mass350.94
IUPAC NameN-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cnc(Cl)nc1Nc1cccc(Br)c1
InChIInChI=1S/C11H6BrClF3N3/c12-6-2-1-3-7(4-6)18-9-8(11(14,15)16)5-17-10(13)19-9/h1-5H,(H,17,18,19)
InChIKeyQCPKWORBDYZZRX-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine (CID 88951843) is N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cnc(Cl)nc1Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QCPKWORBDYZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3N3/c12-6-2-1-3-7(4-6)18-9-8(11(14,15)16)5-17-10(13)19-9/h1-5H,(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine?
N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 352.54 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 88951843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).