5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C20H21F3N6O2 — CID 162533300

IUPAC5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CC4(COC4)C3)nc(N3CC4(COC4)C3)n2)cn1
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)13-1-15(24)25-3-12(13)14-2-16(28-4-18(5-28)8-30-9-18)27-17(26-14)29-6-19(7-29)10-31-11-19/h1-3H,4-11H2,(H2,24,25)
InChIKeyPTWUCIQOTPVLSC-UHFFFAOYSA-N
MW434.42 g/mol
LogP1.81
Rot. Bonds3

About 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 162533300) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID162533300
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CC4(COC4)C3)nc(N3CC4(COC4)C3)n2)cn1
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)13-1-15(24)25-3-12(13)14-2-16(28-4-18(5-28)8-30-9-18)27-17(26-14)29-6-19(7-29)10-31-11-19/h1-3H,4-11H2,(H2,24,25)
InChIKeyPTWUCIQOTPVLSC-UHFFFAOYSA-N
XLogP1.81
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 162533300) is 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CC4(COC4)C3)nc(N3CC4(COC4)C3)n2)cn1.
What is the InChIKey of 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PTWUCIQOTPVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c21-20(22,23)13-1-15(24)25-3-12(13)14-2-16(28-4-18(5-28)8-30-9-18)27-17(26-14)29-6-19(7-29)10-31-11-19/h1-3H,4-11H2,(H2,24,25).
What are the key properties of 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 434.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 162533300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).