5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine

C19H22F3N5O2 — CID 58508157

IUPAC5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24)
InChIKeyPYIZPPLCBSHXDH-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.42
Rot. Bonds3

About 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine

5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 58508157) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID58508157
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24)
InChIKeyPYIZPPLCBSHXDH-UHFFFAOYSA-N
XLogP2.42
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
Gne-3511
CID 72547959
Pqr620
CID 121334520
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
2-[[6-(3,3-Difluoropyrrolidin-1-yl)-4-(oxan-4-yl)pyridin-2-yl]amino]pyridine-4-carbonitrile
CID 90067507
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
4-(4-Fluorophenyl)-2-morpholinonicotinonitrile
CID 1488775
Nicotinaldehyde (4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)hydrazone
CID 9585790
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
5-(4,6-Dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 25009673

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine (CID 58508157) is 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1.
What is the InChIKey of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PYIZPPLCBSHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24).
What are the key properties of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 409.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 58508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).