5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine

C22H15ClF3N5 — CID 68694006

IUPAC5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4ccc(N)nc4)c3)n2)ccc1Cl
InChIInChI=1S/C22H15ClF3N5/c1-12-8-13(2-4-16(12)23)18-10-19(22(24,25)26)31-21(30-18)14-6-7-28-17(9-14)15-3-5-20(27)29-11-15/h2-11H,1H3,(H2,27,29)
InChIKeyUIBAKCMWKISUTA-UHFFFAOYSA-N
MW441.84 g/mol
LogP5.83
Rot. Bonds3

About 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine

5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 68694006) has the molecular formula C22H15ClF3N5 and a molecular weight of 441.84 g/mol. Its IUPAC name is 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
PubChem CID68694006
Molecular FormulaC22H15ClF3N5
Molecular Weight441.84 g/mol
Exact Mass441.10
IUPAC Name5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4ccc(N)nc4)c3)n2)ccc1Cl
InChIInChI=1S/C22H15ClF3N5/c1-12-8-13(2-4-16(12)23)18-10-19(22(24,25)26)31-21(30-18)14-6-7-28-17(9-14)15-3-5-20(27)29-11-15/h2-11H,1H3,(H2,27,29)
InChIKeyUIBAKCMWKISUTA-UHFFFAOYSA-N
XLogP5.83
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.84
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SD-208
CID 10316032
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-(2-(4-(2-Aminoethyl)Piperazin-1-Yl)Pyridin-4-Yl)-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine
CID 656967
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N'-(2-chloropyrimidin-4-yl)-N-(7-chloro-4-quinolyl)propane-1,3-diamine
CID 71736284
N-(7-chloroquinolin-4-yl)-N'-(2-piperidin-1-ylpyrimidin-4-yl)propane-1,3-diamine
CID 71736286
N-(7-chloro-4-quinolyl)-N'-[4-(1-piperidyl)pyrimidin-2-yl]propane-1,3-diamine
CID 76328769
4-(4-Chlorophenyl)-6-(dimethylamino)-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480439

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine (CID 68694006) is 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine is Cc1cc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4ccc(N)nc4)c3)n2)ccc1Cl.
What is the InChIKey of 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is UIBAKCMWKISUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5/c1-12-8-13(2-4-16(12)23)18-10-19(22(24,25)26)31-21(30-18)14-6-7-28-17(9-14)15-3-5-20(27)29-11-15/h2-11H,1H3,(H2,27,29).
What are the key properties of 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 441.84 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-chloro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 68694006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).