5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine

C24H16BrF10N7 — CID 161494173

IUPAC5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
SMILESFC(F)c1cnc(CBr)cc1-c1cnc(C(F)(F)F)nc1.NCc1cc(-c2cnc(C(F)(F)F)nc2)c(C(F)F)cn1
InChIInChI=1S/C12H7BrF5N3.C12H9F5N4/c13-2-7-1-8(9(5-19-7)10(14)15)6-3-20-11(21-4-6)12(16,17)18;13-10(14)9-5-19-7(2-18)1-8(9)6-3-20-11(21-4-6)12(15,16)17/h1,3-5,10H,2H2;1,3-5,10H,2,18H2
InChIKeyWFZGBLSHLHTAOW-UHFFFAOYSA-N
MW672.33 g/mol
LogP7.34
Rot. Bonds6

About 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine

5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine (PubChem CID 161494173) has the molecular formula C24H16BrF10N7 and a molecular weight of 672.33 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
PubChem CID161494173
Molecular FormulaC24H16BrF10N7
Molecular Weight672.33 g/mol
Exact Mass671.05
IUPAC Name5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
SMILESFC(F)c1cnc(CBr)cc1-c1cnc(C(F)(F)F)nc1.NCc1cc(-c2cnc(C(F)(F)F)nc2)c(C(F)F)cn1
InChIInChI=1S/C12H7BrF5N3.C12H9F5N4/c13-2-7-1-8(9(5-19-7)10(14)15)6-3-20-11(21-4-6)12(16,17)18;13-10(14)9-5-19-7(2-18)1-8(9)6-3-20-11(21-4-6)12(15,16)17/h1,3-5,10H,2H2;1,3-5,10H,2,18H2
InChIKeyWFZGBLSHLHTAOW-UHFFFAOYSA-N
XLogP7.34
TPSA103.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.33
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 44590980
7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 46203864
N-(5-(trifluoromethyl)pyrazin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 49863783
7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyrimidin-2-yl)-1,8-naphthyridin-4-amine
CID 49863784
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)pyrimidin-4-yl)-1,8-naphthyridin-4-amine
CID 49863827
3-(5-Bromo-3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 49863889
2-isopropyl-N-(5-(trifluoromethyl)pyrazin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52941239
2-(piperidin-1-yl)-N-(5-(trifluoromethyl)pyrazin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52943679

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine (CID 161494173) is 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine is FC(F)c1cnc(CBr)cc1-c1cnc(C(F)(F)F)nc1.NCc1cc(-c2cnc(C(F)(F)F)nc2)c(C(F)F)cn1.
What is the InChIKey of 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The InChIKey is WFZGBLSHLHTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF5N3.C12H9F5N4/c13-2-7-1-8(9(5-19-7)10(14)15)6-3-20-11(21-4-6)12(16,17)18;13-10(14)9-5-19-7(2-18)1-8(9)6-3-20-11(21-4-6)12(15,16)17/h1,3-5,10H,2H2;1,3-5,10H,2,18H2.
What are the key properties of 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine has a molecular weight of 672.33 g/mol, XLogP of 7.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrimidine;[5-(difluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 161494173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).