[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone

C24H29ClN4O3 — CID 110151570

About [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone

[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone (PubChem CID 110151570) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone.

Molecular Properties

• Compound Name: [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone
• PubChem CID: 110151570
• Molecular Formula: C24H29ClN4O3
• Molecular Weight: 456.97 g/mol
• Exact Mass: 456.19
• IUPAC Name: [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone
• SMILES: O=C(C1COCCN1C1CCOCC1)N1CCCC1c1ccnc(-c2cccc(Cl)c2)n1
• InChI: InChI=1S/C24H29ClN4O3/c25-18-4-1-3-17(15-18)23-26-9-6-20(27-23)21-5-2-10-29(21)24(30)22-16-32-14-11-28(22)19-7-12-31-13-8-19/h1,3-4,6,9,15,19,21-22H,2,5,7-8,10-14,16H2
• InChIKey: UWNPEUFEQNWNIG-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.97
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone?

The IUPAC name of [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone (CID 110151570) is [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone.

What is the SMILES notation for [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone?

The canonical SMILES for [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone is O=C(C1COCCN1C1CCOCC1)N1CCCC1c1ccnc(-c2cccc(Cl)c2)n1.

What is the InChIKey of [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone?

The InChIKey is UWNPEUFEQNWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c25-18-4-1-3-17(15-18)23-26-9-6-20(27-23)21-5-2-10-29(21)24(30)22-16-32-14-11-28(22)19-7-12-31-13-8-19/h1,3-4,6,9,15,19,21-22H,2,5,7-8,10-14,16H2.

What are the key properties of [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone?

[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone has a molecular weight of 456.97 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone is sourced from PubChem (CID 110151570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).