[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone

C25H32Cl2N6O — CID 127045978

IUPAC[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
InChIInChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m1/s1
InChIKeyQHNRPKQSSSAFSM-OAQYLSRUSA-N
MW503.48 g/mol
LogP4.36
Rot. Bonds5

About [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone

[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 127045978) has the molecular formula C25H32Cl2N6O and a molecular weight of 503.48 g/mol. Its IUPAC name is [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID127045978
Molecular FormulaC25H32Cl2N6O
Molecular Weight503.48 g/mol
Exact Mass502.20
IUPAC Name[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
InChIInChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m1/s1
InChIKeyQHNRPKQSSSAFSM-OAQYLSRUSA-N
XLogP4.36
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880
(R)-(4-(4-((2,4-dichlorobenzyl)amino)pyrido(2,3-d)pyrimidin-2-yl)piperazin-1-yl)-piperidin-2-yl-methanone
CID 9827294
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-[2-(pyrrolidin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidin-4-amine
CID 127047356
4-Amino-N-(2,4-dichlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45142021
N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-ylamino)piperidine-1-carboxamide
CID 46225084
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 54580025
4-amino-N-[1-(4-chlorophenyl)-4-piperidin-1-ylbutyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 57750342
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-piperidin-1-ylpropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 57750407
2-(2,4-dichlorophenyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 168279040
PS020990
CID 20814785

Frequently Asked Questions

What is the IUPAC name of [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone (CID 127045978) is [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1.
What is the InChIKey of [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is QHNRPKQSSSAFSM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m1/s1.
What are the key properties of [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone?
[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 503.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 127045978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).