(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine

C₁₇H₂₀ClN₃O — CID 95559034

About (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine

(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine (PubChem CID 95559034) has the molecular formula C₁₇H₂₀ClN₃O and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

• Compound Name: (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
• PubChem CID: 95559034
• Molecular Formula: C₁₇H₂₀ClN₃O
• Molecular Weight: 317.82 g/mol
• Exact Mass: 317.13
• IUPAC Name: (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
• SMILES: CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1
• InChI: InChI=1S/C17H20ClN3O/c1-12(2)15-9-17(20-11-19-15)21-7-8-22-16(10-21)13-3-5-14(18)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m0/s1
• InChIKey: OITHWVIVKRXARE-INIZCTEOSA-N
• XLogP: 3.83
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.82
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

The IUPAC name of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine (CID 95559034) is (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine.

What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine is CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1.

What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

The InChIKey is OITHWVIVKRXARE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)15-9-17(20-11-19-15)21-7-8-22-16(10-21)13-3-5-14(18)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m0/s1.

What are the key properties of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?

(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 317.82 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 95559034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 95559034 — identifiers, structure, computed properties (public domain)

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