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

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

(5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 92586924) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
PubChem CID	92586924
Molecular Formula	C21H29N5O4
Molecular Weight	415.49 g/mol
Exact Mass	415.22
IUPAC Name	(5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILES	CCCN1C(=O)N[C@@H](CC(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)C1=O
InChI	InChI=1S/C21H29N5O4/c1-3-8-26-20(29)15(22-21(26)30)11-17(27)24-9-4-6-14(12-24)18-13(2)19(28)23-16-7-5-10-25(16)18/h14-15H,3-12H2,1-2H3,(H,22,30)/t14-,15-/m0/s1
InChIKey	AINCECNIRGXFEL-GJZGRUSLSA-N
XLogP	0.92
TPSA	104.61 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	0.92
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-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (CID 92586924) is (5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

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

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

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

The InChIKey is AINCECNIRGXFEL-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-3-8-26-20(29)15(22-21(26)30)11-17(27)24-9-4-6-14(12-24)18-13(2)19(28)23-16-7-5-10-25(16)18/h14-15H,3-12H2,1-2H3,(H,22,30)/t14-,15-/m0/s1.

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

(5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[2-[(3S)-3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 92586924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).