5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione (PubChem CID 76680059) has the molecular formula C22H22N6O5 and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione
PubChem CID	76680059
Molecular Formula	C22H22N6O5
Molecular Weight	450.46 g/mol
Exact Mass	450.17
IUPAC Name	5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione
SMILES	COc1ccc2c(c1)C(=O)N(CC1(c3cc4cnc(NC(C)C)nc4o3)NC(=O)NC1=O)C2
InChI	InChI=1S/C22H22N6O5/c1-11(2)24-20-23-8-13-6-16(33-17(13)25-20)22(19(30)26-21(31)27-22)10-28-9-12-4-5-14(32-3)7-15(12)18(28)29/h4-8,11H,9-10H2,1-3H3,(H,23,24,25)(H2,26,27,30,31)
InChIKey	MZVCKDXJOXDPNL-UHFFFAOYSA-N
XLogP	1.74
TPSA	138.69 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.46
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione (CID 76680059) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4cnc(NC(C)C)nc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione?

The InChIKey is MZVCKDXJOXDPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5/c1-11(2)24-20-23-8-13-6-16(33-17(13)25-20)22(19(30)26-21(31)27-22)10-28-9-12-4-5-14(32-3)7-15(12)18(28)29/h4-8,11H,9-10H2,1-3H3,(H,23,24,25)(H2,26,27,30,31).

What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione?

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione has a molecular weight of 450.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(propan-2-ylamino)furo[2,3-d]pyrimidin-6-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 76680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).