UMN

C₂₉H₃₀ClN₅O₄ — CID 156612916

About UMN

UMN (PubChem CID 156612916) has the molecular formula C₂₉H₃₀ClN₅O₄ and a molecular weight of 548.04 g/mol. Its IUPAC name is 2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]acetamide.

Molecular Properties

• Compound Name: UMN
• PubChem CID: 156612916
• Molecular Formula: C₂₉H₃₀ClN₅O₄
• Molecular Weight: 548.04 g/mol
• Exact Mass: 547.20
• IUPAC Name: 2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]acetamide
• SMILES: O=C(CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O)N[C@@]1(CO)CCc2ccccc21
• InChI: InChI=1S/C29H30ClN5O4/c30-24-14-31-28(32-21-8-11-39-12-9-21)33-26(24)19-5-6-20-15-35(27(38)22(20)13-19)16-25(37)34-29(17-36)10-7-18-3-1-2-4-23(18)29/h1-6,13-14,21,36H,7-12,15-17H2,(H,34,37)(H,31,32,33)/t29-/m1/s1
• InChIKey: ANSUETKROJEMSJ-GDLZYMKVSA-N
• XLogP: 3.29
• TPSA: 116.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.04
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of UMN?

The IUPAC name of UMN (CID 156612916) is 2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]acetamide.

What is the SMILES notation for UMN?

The canonical SMILES for UMN is O=C(CN1Cc2ccc(-c3nc(NC4CCOCC4)ncc3Cl)cc2C1=O)N[C@@]1(CO)CCc2ccccc21.

What is the InChIKey of UMN?

The InChIKey is ANSUETKROJEMSJ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H30ClN5O4/c30-24-14-31-28(32-21-8-11-39-12-9-21)33-26(24)19-5-6-20-15-35(27(38)22(20)13-19)16-25(37)34-29(17-36)10-7-18-3-1-2-4-23(18)29/h1-6,13-14,21,36H,7-12,15-17H2,(H,34,37)(H,31,32,33)/t29-/m1/s1.

What are the key properties of UMN?

UMN has a molecular weight of 548.04 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for UMN is sourced from PubChem (CID 156612916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156612916 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.