2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one

C37H33N5O3 — CID 151270966

IUPAC2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one
SMILESCON(c1nc(OCc2ccccc2)c2ncn(C3CCCC3=O)c2n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H33N5O3/c1-44-42(37(28-17-8-3-9-18-28,29-19-10-4-11-20-29)30-21-12-5-13-22-30)36-39-34-33(38-26-41(34)31-23-14-24-32(31)43)35(40-36)45-25-27-15-6-2-7-16-27/h2-13,15-22,26,31H,14,23-25H2,1H3
InChIKeyNWIWORCNAONXBE-UHFFFAOYSA-N
MW595.70 g/mol
LogP7.06
Rot. Bonds10

About 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one

2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one (PubChem CID 151270966) has the molecular formula C37H33N5O3 and a molecular weight of 595.70 g/mol. Its IUPAC name is 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one
PubChem CID151270966
Molecular FormulaC37H33N5O3
Molecular Weight595.70 g/mol
Exact Mass595.26
IUPAC Name2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one
SMILESCON(c1nc(OCc2ccccc2)c2ncn(C3CCCC3=O)c2n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H33N5O3/c1-44-42(37(28-17-8-3-9-18-28,29-19-10-4-11-20-29)30-21-12-5-13-22-30)36-39-34-33(38-26-41(34)31-23-14-24-32(31)43)35(40-36)45-25-27-15-6-2-7-16-27/h2-13,15-22,26,31H,14,23-25H2,1H3
InChIKeyNWIWORCNAONXBE-UHFFFAOYSA-N
XLogP7.06
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 53400836
2-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylmethoxypurin-9-yl]acetic acid
CID 24879829
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718
2-(6-chloropurin-9-yl)cyclopentan-1-one
CID 166437478
(1S,2S,3S,5R)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 99681084
(1S,2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 99649405
N-methyl-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine
CID 155058705
3-(1-methylpyrrolidin-2-yl)-2-phenylmethoxypyridine
CID 102539504
9-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-phenylmethoxypurin-2-amine
CID 101368462
9-[2-(2-diethoxyphosphorylpropan-2-yloxy)ethyl]-6-phenylmethoxypurin-2-amine
CID 15667236
9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine
CID 90323864
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one?
The IUPAC name of 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one (CID 151270966) is 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one is CON(c1nc(OCc2ccccc2)c2ncn(C3CCCC3=O)c2n1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one?
The InChIKey is NWIWORCNAONXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O3/c1-44-42(37(28-17-8-3-9-18-28,29-19-10-4-11-20-29)30-21-12-5-13-22-30)36-39-34-33(38-26-41(34)31-23-14-24-32(31)43)35(40-36)45-25-27-15-6-2-7-16-27/h2-13,15-22,26,31H,14,23-25H2,1H3.
What are the key properties of 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one?
2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one has a molecular weight of 595.70 g/mol, XLogP of 7.06, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methoxy(trityl)amino]-6-phenylmethoxypurin-9-yl]cyclopentan-1-one is sourced from PubChem (CID 151270966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).