2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol

C25H33N5O — CID 77360456

IUPAC2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol
SMILESCC(NC1CCC(c2cnc(NCCNCCO)nc2)C1)c1cccc2ccccc12
InChIInChI=1S/C25H33N5O/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)30-22-10-9-20(15-22)21-16-28-25(29-17-21)27-12-11-26-13-14-31/h2-8,16-18,20,22,26,30-31H,9-15H2,1H3,(H,27,28,29)
InChIKeyRCDTWUFYVFPVDA-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.61
Rot. Bonds10

About 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol

2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol (PubChem CID 77360456) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol
PubChem CID77360456
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol
SMILESCC(NC1CCC(c2cnc(NCCNCCO)nc2)C1)c1cccc2ccccc12
InChIInChI=1S/C25H33N5O/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)30-22-10-9-20(15-22)21-16-28-25(29-17-21)27-12-11-26-13-14-31/h2-8,16-18,20,22,26,30-31H,9-15H2,1H3,(H,27,28,29)
InChIKeyRCDTWUFYVFPVDA-UHFFFAOYSA-N
XLogP3.61
TPSA82.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-pyridinyl]ethane-1,2-diamine
CID 86698387
formic acid;2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]ethanol
CID 159697222
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
CID 88918861
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
cis-(1S,3R)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 67296278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol?
The IUPAC name of 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol (CID 77360456) is 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol is CC(NC1CCC(c2cnc(NCCNCCO)nc2)C1)c1cccc2ccccc12.
What is the InChIKey of 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol?
The InChIKey is RCDTWUFYVFPVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)30-22-10-9-20(15-22)21-16-28-25(29-17-21)27-12-11-26-13-14-31/h2-8,16-18,20,22,26,30-31H,9-15H2,1H3,(H,27,28,29).
What are the key properties of 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol?
2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol has a molecular weight of 419.57 g/mol, XLogP of 3.61, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]pyrimidin-2-yl]amino]ethylamino]ethanol is sourced from PubChem (CID 77360456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).