(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one

About (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one

(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one (PubChem CID 24788906) has the molecular formula C25H34ClN5O3 and a molecular weight of 488.03 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one.

Molecular Properties

Compound Name	(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one
PubChem CID	24788906
Molecular Formula	C25H34ClN5O3
Molecular Weight	488.03 g/mol
Exact Mass	487.24
IUPAC Name	(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one
SMILES	CC(O)CNCC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1
InChI	InChI=1S/C25H34ClN5O3/c1-16-13-21(33)23-22(16)24(29-15-28-23)30-9-11-31(12-10-30)25(34)20(7-8-27-14-17(2)32)18-3-5-19(26)6-4-18/h3-6,15-17,20-21,27,32-33H,7-14H2,1-2H3/t16-,17?,20-,21-/m1/s1
InChIKey	OOOZFSVNJMFYIK-VXZFSVQYSA-N
XLogP	2.46
TPSA	101.82 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.03
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one?

The IUPAC name of (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one (CID 24788906) is (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one.

What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one?

The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one is CC(O)CNCC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.

What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one?

The InChIKey is OOOZFSVNJMFYIK-VXZFSVQYSA-N. The full InChI is InChI=1S/C25H34ClN5O3/c1-16-13-21(33)23-22(16)24(29-15-28-23)30-9-11-31(12-10-30)25(34)20(7-8-27-14-17(2)32)18-3-5-19(26)6-4-18/h3-6,15-17,20-21,27,32-33H,7-14H2,1-2H3/t16-,17?,20-,21-/m1/s1.

What are the key properties of (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one?

(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one has a molecular weight of 488.03 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-4-(2-hydroxypropylamino)butan-1-one is sourced from PubChem (CID 24788906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).