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

C68H63N13O8 — CID 161456477

IUPAC9H-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
SMILESCC(C)n1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.CC(C)n1cnc2c(=O)[nH]c(NC(=O)OCC3c4ccccc4-c4ccccc43)nc21.CC(C)n1cnc2c(NC(=O)OCC3c4ccccc4-c4ccccc43)ncnc21
InChIInChI=1S/C23H21N5O3.C23H21N5O2.C22H21N3O3/c1-13(2)28-12-24-19-20(28)25-22(26-21(19)29)27-23(30)31-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-14(2)28-13-26-20-21(24-12-25-22(20)28)27-23(29)30-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19;1-14(2)25-12-11-20(23-21(25)26)24-22(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-13,18H,11H2,1-2H3,(H2,25,26,27,29,30);3-10,12-14,19H,11H2,1-2H3,(H,24,25,27,29);3-12,14,19H,13H2,1-2H3,(H,23,24,26,27)
InChIKeyWBFJLERFKNAYRT-UHFFFAOYSA-N
MW1190.33 g/mol
LogP13.01
Rot. Bonds12

About 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

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 (PubChem CID 161456477) has the molecular formula C68H63N13O8 and a molecular weight of 1190.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9H-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
PubChem CID161456477
Molecular FormulaC68H63N13O8
Molecular Weight1190.33 g/mol
Exact Mass1189.49
IUPAC Name9H-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
SMILESCC(C)n1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.CC(C)n1cnc2c(=O)[nH]c(NC(=O)OCC3c4ccccc4-c4ccccc43)nc21.CC(C)n1cnc2c(NC(=O)OCC3c4ccccc4-c4ccccc43)ncnc21
InChIInChI=1S/C23H21N5O3.C23H21N5O2.C22H21N3O3/c1-13(2)28-12-24-19-20(28)25-22(26-21(19)29)27-23(30)31-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-14(2)28-13-26-20-21(24-12-25-22(20)28)27-23(29)30-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19;1-14(2)25-12-11-20(23-21(25)26)24-22(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-13,18H,11H2,1-2H3,(H2,25,26,27,29,30);3-10,12-14,19H,11H2,1-2H3,(H,24,25,27,29);3-12,14,19H,13H2,1-2H3,(H,23,24,26,27)
InChIKeyWBFJLERFKNAYRT-UHFFFAOYSA-N
XLogP13.01
TPSA257.05 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.33
LogP ≤ 513.01
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-(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 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

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
2-(benzylamino)-9-propan-2-yl-1H-purin-6-one;4-(benzylamino)-1-propan-2-ylpyrimidin-2-one;N-benzyl-9-propan-2-ylpurin-6-amine
CID 158643822
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-(1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 21338103
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
9H-fluoren-9-ylmethyl N-[9-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]purin-6-yl]carbamate
CID 87103623
2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide
CID 160877234
9-propan-2-yl-2-(prop-1-en-2-ylamino)-1H-purin-6-one
CID 158648673
(3R)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]butanoic acid
CID 46898631
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-[(4-hydroxyphenyl)methoxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid
CID 163851785
6-azido-9-propan-2-ylpurine;4-azido-1-propan-2-ylpyrimidin-2-one;2-methyl-9-propan-2-yl-1H-purin-6-one
CID 159062016
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.CC(C)n1cnc2c(=O)[nH]c(NC(=O)OCC3c4ccccc4-c4ccccc43)nc21.CC(C)n1cnc2c(NC(=O)OCC3c4ccccc4-c4ccccc43)ncnc21.
What is the InChIKey of 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?
The InChIKey is WBFJLERFKNAYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.C23H21N5O2.C22H21N3O3/c1-13(2)28-12-24-19-20(28)25-22(26-21(19)29)27-23(30)31-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-14(2)28-13-26-20-21(24-12-25-22(20)28)27-23(29)30-11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19;1-14(2)25-12-11-20(23-21(25)26)24-22(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-13,18H,11H2,1-2H3,(H2,25,26,27,29,30);3-10,12-14,19H,11H2,1-2H3,(H,24,25,27,29);3-12,14,19H,13H2,1-2H3,(H,23,24,26,27).
What are the key properties of 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?
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 has a molecular weight of 1190.33 g/mol, XLogP of 13.01, 12 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-(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 is sourced from PubChem (CID 161456477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).