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

C30H36ClF3N8O6 — CID 157072750

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

4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 157072750) has the molecular formula C30H36ClF3N8O6 and a molecular weight of 697.12 g/mol. Its IUPAC name is 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 157072750
• Molecular Formula: C30H36ClF3N8O6
• Molecular Weight: 697.12 g/mol
• Exact Mass: 696.24
• IUPAC Name: 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
• SMILES: Clc1cc(OC2CCOC2)nc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2cc(O[C@@H]3CCOC3)nc(N3CCOCC3)n2)cn1
• InChI: 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-;/m1./s1
• InChIKey: ACPUWUAHIGHGOK-RFVHGSKJSA-N
• XLogP: 3.28
• TPSA: 152.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.12
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 157072750) is 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Clc1cc(OC2CCOC2)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-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is ACPUWUAHIGHGOK-RFVHGSKJSA-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-;/m1./s1.

What are the key properties of 4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?

4-[4-chloro-6-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-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-(oxolan-3-yloxy)pyrimidin-2-yl]morpholine;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157072750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).