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

C24H30Cl2N6O — CID 127045977

IUPAC[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
InChIInChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m0/s1
InChIKeyFCBVISPGBVZJDX-FQEVSTJZSA-N
MW489.45 g/mol
LogP3.97
Rot. Bonds5

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

[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 127045977) has the molecular formula C24H30Cl2N6O and a molecular weight of 489.45 g/mol. Its IUPAC name is [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID127045977
Molecular FormulaC24H30Cl2N6O
Molecular Weight489.45 g/mol
Exact Mass488.19
IUPAC Name[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
InChIInChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m0/s1
InChIKeyFCBVISPGBVZJDX-FQEVSTJZSA-N
XLogP3.97
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.97
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]-[(2S)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

(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
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
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
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452520
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223370
(R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)piperazin-1-yl)(piperidin-2-yl)methanone
CID 11525206
N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperidineacetamide
CID 16116173
1-{3-[(1S)-amino-3-methylbutyl]-2-pyridinyl}-4-[3-(2,4-dichlorophenyl)-propionyl]piperazine
CID 24740310
1-{3-[(1R)-amino-3-methylbutyl]-2-pyridinyl}-4-[3-(2,4-dichlorophenyl)-propionyl]piperazine
CID 24740311
2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide
CID 24740312

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]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 127045977) is [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-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]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)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]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is FCBVISPGBVZJDX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m0/s1.
What are the key properties of [8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 489.45 g/mol, XLogP of 3.97, 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]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 127045977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).