9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane

C65H63N13O8 — CID 157137710

IUPAC9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane
SMILESC.C.C.Cn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.Cn1cnc2c(=O)[nH]c(NC(=O)OCC3c4ccccc4-c4ccccc43)nc21.Cn1cnc2c(NC(=O)OCC3c4ccccc4-c4ccccc43)ncnc21
InChIInChI=1S/C21H17N5O3.C21H17N5O2.C20H17N3O3.3CH4/c1-26-11-22-17-18(26)23-20(24-19(17)27)25-21(28)29-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-26-12-24-18-19(22-11-23-20(18)26)25-21(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-23-11-10-18(21-19(23)24)22-20(25)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;;;/h2-9,11,16H,10H2,1H3,(H2,23,24,25,27,28);2-9,11-12,17H,10H2,1H3,(H,22,23,25,27);2-11,17H,12H2,1H3,(H,21,22,24,25);3*1H4
InChIKeyAJUZRSFJUWTQOV-UHFFFAOYSA-N
MW1154.30 g/mol
LogP11.79
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane

9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane (PubChem CID 157137710) has the molecular formula C65H63N13O8 and a molecular weight of 1154.30 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane
PubChem CID157137710
Molecular FormulaC65H63N13O8
Molecular Weight1154.30 g/mol
Exact Mass1153.49
IUPAC Name9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane
SMILESC.C.C.Cn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.Cn1cnc2c(=O)[nH]c(NC(=O)OCC3c4ccccc4-c4ccccc43)nc21.Cn1cnc2c(NC(=O)OCC3c4ccccc4-c4ccccc43)ncnc21
InChIInChI=1S/C21H17N5O3.C21H17N5O2.C20H17N3O3.3CH4/c1-26-11-22-17-18(26)23-20(24-19(17)27)25-21(28)29-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-26-12-24-18-19(22-11-23-20(18)26)25-21(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-23-11-10-18(21-19(23)24)22-20(25)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;;;/h2-9,11,16H,10H2,1H3,(H2,23,24,25,27,28);2-9,11-12,17H,10H2,1H3,(H,22,23,25,27);2-11,17H,12H2,1H3,(H,21,22,24,25);3*1H4
InChIKeyAJUZRSFJUWTQOV-UHFFFAOYSA-N
XLogP11.79
TPSA257.05 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.30
LogP ≤ 511.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-(6-oxo-9-propan-2-yl-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-propan-2-ylpurin-6-yl)carbamate
CID 161456477
9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 21338103
9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]carbamate
CID 162087758
9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate
CID 87103623
9H-fluoren-9-ylmethyl N-[1-[(2R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate;9H-fluoren-9-ylmethyl N-[9-[(2R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamate;bis(tritiooxymethane)
CID 159261073
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-[(4-hydroxyphenyl)methoxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid
CID 163851785
(3R)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]butanoic acid
CID 46898631
2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-[2-[6-oxo-2-(phenylmethoxycarbonylamino)-1H-purin-9-yl]acetyl]amino]acetic acid;2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]amino]acetic acid
CID 160752178
9H-fluoren-9-ylmethyl N-[9-[(2S,4S,5R)-2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]carbamate
CID 150275353
(2R)-3-(2,4-dioxopteridin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 101196616
9H-fluoren-9-ylmethyl N-[(1S)-1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]carbamate
CID 144683784
9H-fluoren-9-ylmethyl N-[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]amino]-4-oxobutyl]-N-methylcarbamate
CID 136608996

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane (CID 157137710) is 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane is C.C.C.Cn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.Cn1cnc2c(=O)[nH]c(NC(=O)OCC3c4ccccc4-c4ccccc43)nc21.Cn1cnc2c(NC(=O)OCC3c4ccccc4-c4ccccc43)ncnc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane?
The InChIKey is AJUZRSFJUWTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3.C21H17N5O2.C20H17N3O3.3CH4/c1-26-11-22-17-18(26)23-20(24-19(17)27)25-21(28)29-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-26-12-24-18-19(22-11-23-20(18)26)25-21(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-23-11-10-18(21-19(23)24)22-20(25)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;;;/h2-9,11,16H,10H2,1H3,(H2,23,24,25,27,28);2-9,11-12,17H,10H2,1H3,(H,22,23,25,27);2-11,17H,12H2,1H3,(H,21,22,24,25);3*1H4.
What are the key properties of 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane?
9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane has a molecular weight of 1154.30 g/mol, XLogP of 11.79, 9 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane is sourced from PubChem (CID 157137710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).