5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

About 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (PubChem CID 92595683) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
PubChem CID	92595683
Molecular Formula	C22H31N5O4
Molecular Weight	429.52 g/mol
Exact Mass	429.24
IUPAC Name	5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
SMILES	Cc1c([C@@H]2CCCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)C2)n2c(nc1=O)CCC2
InChI	InChI=1S/C22H31N5O4/c1-14-18(26-11-5-8-16(26)23-19(14)29)15-7-4-10-25(13-15)17(28)9-6-12-27-20(30)22(2,3)24-21(27)31/h15H,4-13H2,1-3H3,(H,24,31)/t15-/m1/s1
InChIKey	PDHGDTITQFOFAZ-OAHLLOKOSA-N
XLogP	1.31
TPSA	104.61 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (CID 92595683) is 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is Cc1c([C@@H]2CCCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)C2)n2c(nc1=O)CCC2.

What is the InChIKey of 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

The InChIKey is PDHGDTITQFOFAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-14-18(26-11-5-8-16(26)23-19(14)29)15-7-4-10-25(13-15)17(28)9-6-12-27-20(30)22(2,3)24-21(27)31/h15H,4-13H2,1-3H3,(H,24,31)/t15-/m1/s1.

What are the key properties of 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?

5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione has a molecular weight of 429.52 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-[4-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92595683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).