5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine

C21H22F4N8O2 — CID 155091854

IUPAC5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
SMILESCCOCC1COCN1c1nc(-c2cnc(N)cc2C(F)F)nc(-c2cnc(N)cc2C(F)F)n1
InChIInChI=1S/C21H22F4N8O2/c1-2-34-7-10-8-35-9-33(10)21-31-19(13-5-28-15(26)3-11(13)17(22)23)30-20(32-21)14-6-29-16(27)4-12(14)18(24)25/h3-6,10,17-18H,2,7-9H2,1H3,(H2,26,28)(H2,27,29)
InChIKeyKPVYUYPUSFUJBL-UHFFFAOYSA-N
MW494.45 g/mol
LogP3.23
Rot. Bonds8

About 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine

5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (PubChem CID 155091854) has the molecular formula C21H22F4N8O2 and a molecular weight of 494.45 g/mol. Its IUPAC name is 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
PubChem CID155091854
Molecular FormulaC21H22F4N8O2
Molecular Weight494.45 g/mol
Exact Mass494.18
IUPAC Name5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
SMILESCCOCC1COCN1c1nc(-c2cnc(N)cc2C(F)F)nc(-c2cnc(N)cc2C(F)F)n1
InChIInChI=1S/C21H22F4N8O2/c1-2-34-7-10-8-35-9-33(10)21-31-19(13-5-28-15(26)3-11(13)17(22)23)30-20(32-21)14-6-29-16(27)4-12(14)18(24)25/h3-6,10,17-18H,2,7-9H2,1H3,(H2,26,28)(H2,27,29)
InChIKeyKPVYUYPUSFUJBL-UHFFFAOYSA-N
XLogP3.23
TPSA138.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (CID 155091854) is 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine is CCOCC1COCN1c1nc(-c2cnc(N)cc2C(F)F)nc(-c2cnc(N)cc2C(F)F)n1.
What is the InChIKey of 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
The InChIKey is KPVYUYPUSFUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N8O2/c1-2-34-7-10-8-35-9-33(10)21-31-19(13-5-28-15(26)3-11(13)17(22)23)30-20(32-21)14-6-29-16(27)4-12(14)18(24)25/h3-6,10,17-18H,2,7-9H2,1H3,(H2,26,28)(H2,27,29).
What are the key properties of 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine?
5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine has a molecular weight of 494.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-amino-4-(difluoromethyl)-3-pyridinyl]-6-[4-(ethoxymethyl)-1,3-oxazolidin-3-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155091854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).