5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine

C21H20F3N5O — CID 90314478

IUPAC5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cn2)cn1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)17-2-3-18(15(9-17)13-29-5-7-30-8-6-29)14-1-4-19(26-10-14)16-11-27-20(25)28-12-16/h1-4,9-12H,5-8,13H2,(H2,25,27,28)
InChIKeyZNFRUDHBDOJQOO-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.64
Rot. Bonds4

About 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 90314478) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID90314478
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cn2)cn1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)17-2-3-18(15(9-17)13-29-5-7-30-8-6-29)14-1-4-19(26-10-14)16-11-27-20(25)28-12-16/h1-4,9-12H,5-8,13H2,(H2,25,27,28)
InChIKeyZNFRUDHBDOJQOO-UHFFFAOYSA-N
XLogP3.64
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine (CID 90314478) is 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cn2)cn1.
What is the InChIKey of 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ZNFRUDHBDOJQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)17-2-3-18(15(9-17)13-29-5-7-30-8-6-29)14-1-4-19(26-10-14)16-11-27-20(25)28-12-16/h1-4,9-12H,5-8,13H2,(H2,25,27,28).
What are the key properties of 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 415.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 90314478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).