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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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).