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

C11H5ClF5N3 — CID 145420271

IUPAC2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1F
InChIInChI=1S/C11H5ClF5N3/c12-10-18-4-6(11(15,16)17)9(20-10)19-5-1-2-7(13)8(14)3-5/h1-4H,(H,18,19,20)
InChIKeyJBQYSVVDORTMFH-UHFFFAOYSA-N
MW309.63 g/mol
LogP4.17
Rot. Bonds2

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

2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 145420271) has the molecular formula C11H5ClF5N3 and a molecular weight of 309.63 g/mol. Its IUPAC name is 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID145420271
Molecular FormulaC11H5ClF5N3
Molecular Weight309.63 g/mol
Exact Mass309.01
IUPAC Name2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1F
InChIInChI=1S/C11H5ClF5N3/c12-10-18-4-6(11(15,16)17)9(20-10)19-5-1-2-7(13)8(14)3-5/h1-4H,(H,18,19,20)
InChIKeyJBQYSVVDORTMFH-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.63
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
N-(3-bromophenyl)-2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 88951843
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine
CID 175858931
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152
N-[4-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-fluorobenzamide
CID 178100479
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 156636551
N-tert-butyl-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 167442568
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 145420271) is 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine is Fc1ccc(Nc2nc(Cl)ncc2C(F)(F)F)cc1F.
What is the InChIKey of 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JBQYSVVDORTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N3/c12-10-18-4-6(11(15,16)17)9(20-10)19-5-1-2-7(13)8(14)3-5/h1-4H,(H,18,19,20).
What are the key properties of 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 309.63 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 145420271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).