bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride

C25H36Cl2N8O — CID 174681740

IUPACbis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride
SMILESC[C@@H]1CCc2ncnc(N3CCN(C(=O)N4CCN(c5ncnc6c5[C@H](C)CC6)CC4)CC3)c21.Cl.Cl
InChIInChI=1S/C25H34N8O.2ClH/c1-17-3-5-19-21(17)23(28-15-26-19)30-7-11-32(12-8-30)25(34)33-13-9-31(10-14-33)24-22-18(2)4-6-20(22)27-16-29-24;;/h15-18H,3-14H2,1-2H3;2*1H/t17-,18-;;/m1../s1
InChIKeyUQYQXAUAKMGFOY-RKDOVGOJSA-N
MW535.52 g/mol
LogP3.27
Rot. Bonds2

About bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride

bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 174681740) has the molecular formula C25H36Cl2N8O and a molecular weight of 535.52 g/mol. Its IUPAC name is bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namebis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID174681740
Molecular FormulaC25H36Cl2N8O
Molecular Weight535.52 g/mol
Exact Mass534.24
IUPAC Namebis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride
SMILESC[C@@H]1CCc2ncnc(N3CCN(C(=O)N4CCN(c5ncnc6c5[C@H](C)CC6)CC4)CC3)c21.Cl.Cl
InChIInChI=1S/C25H34N8O.2ClH/c1-17-3-5-19-21(17)23(28-15-26-19)30-7-11-32(12-8-30)25(34)33-13-9-31(10-14-33)24-22-18(2)4-6-20(22)27-16-29-24;;/h15-18H,3-14H2,1-2H3;2*1H/t17-,18-;;/m1../s1
InChIKeyUQYQXAUAKMGFOY-RKDOVGOJSA-N
XLogP3.27
TPSA81.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride (CID 174681740) is bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride is C[C@@H]1CCc2ncnc(N3CCN(C(=O)N4CCN(c5ncnc6c5[C@H](C)CC6)CC4)CC3)c21.Cl.Cl.
What is the InChIKey of bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is UQYQXAUAKMGFOY-RKDOVGOJSA-N. The full InChI is InChI=1S/C25H34N8O.2ClH/c1-17-3-5-19-21(17)23(28-15-26-19)30-7-11-32(12-8-30)25(34)33-13-9-31(10-14-33)24-22-18(2)4-6-20(22)27-16-29-24;;/h15-18H,3-14H2,1-2H3;2*1H/t17-,18-;;/m1../s1.
What are the key properties of bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride?
bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 535.52 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 174681740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).