4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C30H36ClF3N8O6 — CID 157072751

IUPAC4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESClc1cc(O[C@H]2CCOC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H20F3N5O3.C12H16ClN3O3/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;13-10-7-11(19-9-1-4-18-8-9)15-12(14-10)16-2-5-17-6-3-16/h7-9,11H,1-6,10H2,(H2,22,23);7,9H,1-6,8H2/t11-;9-/m00/s1
InChIKeyACPUWUAHIGHGOK-UIAFZIJMSA-N
MW697.12 g/mol
LogP3.28
Rot. Bonds7

About 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 157072751) has the molecular formula C30H36ClF3N8O6 and a molecular weight of 697.12 g/mol. Its IUPAC name is 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID157072751
Molecular FormulaC30H36ClF3N8O6
Molecular Weight697.12 g/mol
Exact Mass696.24
IUPAC Name4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESClc1cc(O[C@H]2CCOC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H20F3N5O3.C12H16ClN3O3/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;13-10-7-11(19-9-1-4-18-8-9)15-12(14-10)16-2-5-17-6-3-16/h7-9,11H,1-6,10H2,(H2,22,23);7,9H,1-6,8H2/t11-;9-/m00/s1
InChIKeyACPUWUAHIGHGOK-UIAFZIJMSA-N
XLogP3.28
TPSA152.33 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.12
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[2-Morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 23630333
Tert-butyl 4-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507460
1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 59507523
1-[4-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 59507524
tert-butyl (3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 59507531
5-(2-Morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507535
1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone
CID 59507538
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 59507539
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)pyridin-3-yl]pyrimidin-4-amine
CID 59507567
Tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507569
1-[(3R)-3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 59507573
5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507588

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 157072751) is 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Clc1cc(O[C@H]2CCOC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ACPUWUAHIGHGOK-UIAFZIJMSA-N. The full InChI is InChI=1S/C18H20F3N5O3.C12H16ClN3O3/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;13-10-7-11(19-9-1-4-18-8-9)15-12(14-10)16-2-5-17-6-3-16/h7-9,11H,1-6,10H2,(H2,22,23);7,9H,1-6,8H2/t11-;9-/m00/s1.
What are the key properties of 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 697.12 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[(3S)-oxolan-3-yl]oxypyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157072751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).