(2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride

C22H30Cl2FN5O — CID 67340658

About (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride

(2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 67340658) has the molecular formula C22H30Cl2FN5O and a molecular weight of 470.42 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride
• PubChem CID: 67340658
• Molecular Formula: C22H30Cl2FN5O
• Molecular Weight: 470.42 g/mol
• Exact Mass: 469.18
• IUPAC Name: (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride
• SMILES: CNC[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC3)CC1)c1ccc(F)cc1.Cl.Cl
• InChI: InChI=1S/C22H28FN5O.2ClH/c1-15-3-8-19-20(15)21(26-14-25-19)27-9-11-28(12-10-27)22(29)18(13-24-2)16-4-6-17(23)7-5-16;;/h4-7,14-15,18,24H,3,8-13H2,1-2H3;2*1H/t15-,18+;;/m1../s1
• InChIKey: UVFXKZCUXUCRNO-RZCPSWOESA-N
• XLogP: 3.16
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.42
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride?

The IUPAC name of (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 67340658) is (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride.

What is the SMILES notation for (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride?

The canonical SMILES for (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride is CNC[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC3)CC1)c1ccc(F)cc1.Cl.Cl.

What is the InChIKey of (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride?

The InChIKey is UVFXKZCUXUCRNO-RZCPSWOESA-N. The full InChI is InChI=1S/C22H28FN5O.2ClH/c1-15-3-8-19-20(15)21(26-14-25-19)27-9-11-28(12-10-27)22(29)18(13-24-2)16-4-6-17(23)7-5-16;;/h4-7,14-15,18,24H,3,8-13H2,1-2H3;2*1H/t15-,18+;;/m1../s1.

What are the key properties of (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride?

(2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 470.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-fluorophenyl)-3-(methylamino)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 67340658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).