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

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

(5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione (PubChem CID 92586940) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione
PubChem CID	92586940
Molecular Formula	C22H31N5O4
Molecular Weight	429.52 g/mol
Exact Mass	429.24
IUPAC Name	(5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione
SMILES	CCCN1C(=O)N[C@@H](CCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O
InChI	InChI=1S/C22H31N5O4/c1-3-10-27-21(30)16(23-22(27)31)8-9-18(28)25-11-4-6-15(13-25)19-14(2)20(29)24-17-7-5-12-26(17)19/h15-16H,3-13H2,1-2H3,(H,23,31)/t15-,16+/m1/s1
InChIKey	DMPHIRCBRFGVHB-CVEARBPZSA-N
XLogP	1.31
TPSA	104.61 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
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 (5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione (CID 92586940) is (5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@@H](CCC(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O.

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

The InChIKey is DMPHIRCBRFGVHB-CVEARBPZSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-3-10-27-21(30)16(23-22(27)31)8-9-18(28)25-11-4-6-15(13-25)19-14(2)20(29)24-17-7-5-12-26(17)19/h15-16H,3-13H2,1-2H3,(H,23,31)/t15-,16+/m1/s1.

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

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

Where does this data come from?

All data for (5S)-5-[3-[(3R)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-3-oxopropyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 92586940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).