5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C18H20F3N5O3 — CID 59507588

IUPAC5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(O[C@@H]3CCOC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H20F3N5O3/c19-18(20,21)13-7-15(22)23-9-12(13)14-8-16(29-11-1-4-28-10-11)25-17(24-14)26-2-5-27-6-3-26/h7-9,11H,1-6,10H2,(H2,22,23)/t11-/m1/s1
InChIKeyUSBKPGIHJDOWOB-LLVKDONJSA-N
MW411.38 g/mol
LogP2.14
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507588) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507588
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(O[C@@H]3CCOC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H20F3N5O3/c19-18(20,21)13-7-15(22)23-9-12(13)14-8-16(29-11-1-4-28-10-11)25-17(24-14)26-2-5-27-6-3-26/h7-9,11H,1-6,10H2,(H2,22,23)/t11-/m1/s1
InChIKeyUSBKPGIHJDOWOB-LLVKDONJSA-N
XLogP2.14
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507588) is 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(O[C@@H]3CCOC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is USBKPGIHJDOWOB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c19-18(20,21)13-7-15(22)23-9-12(13)14-8-16(29-11-1-4-28-10-11)25-17(24-14)26-2-5-27-6-3-26/h7-9,11H,1-6,10H2,(H2,22,23)/t11-/m1/s1.
What are the key properties of 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 411.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).