4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine

C22H16F3N5 — CID 24760659

IUPAC4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3ccnc(N)c3)n2)n1
InChIInChI=1S/C22H16F3N5/c1-13-10-16(14-2-4-17(5-3-14)22(23,24)25)11-19(29-13)18-7-9-28-21(30-18)15-6-8-27-20(26)12-15/h2-12H,1H3,(H2,26,27)
InChIKeyRODNKGNVQQLSIE-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.18
Rot. Bonds3

About 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine

4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 24760659) has the molecular formula C22H16F3N5 and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine
PubChem CID24760659
Molecular FormulaC22H16F3N5
Molecular Weight407.40 g/mol
Exact Mass407.14
IUPAC Name4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3ccnc(N)c3)n2)n1
InChIInChI=1S/C22H16F3N5/c1-13-10-16(14-2-4-17(5-3-14)22(23,24)25)11-19(29-13)18-7-9-28-21(30-18)15-6-8-27-20(26)12-15/h2-12H,1H3,(H2,26,27)
InChIKeyRODNKGNVQQLSIE-UHFFFAOYSA-N
XLogP5.18
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine (CID 24760659) is 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccnc(-c3ccnc(N)c3)n2)n1.
What is the InChIKey of 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is RODNKGNVQQLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5/c1-13-10-16(14-2-4-17(5-3-14)22(23,24)25)11-19(29-13)18-7-9-28-21(30-18)15-6-8-27-20(26)12-15/h2-12H,1H3,(H2,26,27).
What are the key properties of 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine?
4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 407.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 24760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).