N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C19H13F3N6S — CID 133380062

IUPACN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2nnc(-c3ccccc3)s2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H13F3N6S/c20-19(21,22)14-10-15(26-17(25-14)13-8-4-5-9-23-13)24-11-16-27-28-18(29-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,24,25,26)
InChIKeyRKXFZNHXIIPFOE-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.69
Rot. Bonds5

About N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133380062) has the molecular formula C19H13F3N6S and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133380062
Molecular FormulaC19H13F3N6S
Molecular Weight414.42 g/mol
Exact Mass414.09
IUPAC NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2nnc(-c3ccccc3)s2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H13F3N6S/c20-19(21,22)14-10-15(26-17(25-14)13-8-4-5-9-23-13)24-11-16-27-28-18(29-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,24,25,26)
InChIKeyRKXFZNHXIIPFOE-UHFFFAOYSA-N
XLogP4.69
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133444857
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 97018968
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 86900419
N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133315898
3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 67513119
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133380062) is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCc2nnc(-c3ccccc3)s2)nc(-c2ccccn2)n1.
What is the InChIKey of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RKXFZNHXIIPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6S/c20-19(21,22)14-10-15(26-17(25-14)13-8-4-5-9-23-13)24-11-16-27-28-18(29-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,24,25,26).
What are the key properties of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 414.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).