6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide

C56H91N21O6 — CID 159774592

IUPAC6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide
SMILESC.C.C=C1N=C(N)C=CN1C(C)C.C=C1NC(=O)C=CN1C(C)C.CC(=O)Nc1ccn(C(C)C)c(=O)n1.CC1NC(=O)c2ncn(C(C)C)c2N1.CCOC1=NC(C)Nc2c1ncn2C(C)C.COc1nc(N)nc2c1ncn2C(C)C
InChIInChI=1S/C11H18N4O.C9H13N5O.C9H14N4O.C9H13N3O2.C8H13N3.C8H12N2O.2CH4/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)12-5-4-8(10-7(3)13)11-9(12)14;1-6(2)11-5-4-8(9)10-7(11)3;1-6(2)10-5-4-8(11)9-7(10)3;;/h6-8,13H,5H2,1-4H3;4-5H,1-3H3,(H2,10,12,13);4-6,11H,1-3H3,(H,12,14);4-6H,1-3H3,(H,10,11,13,14);4-6H,3H2,1-2H3,(H2,9,10);4-6H,3H2,1-2H3,(H,9,11);2*1H4
InChIKeyNGOLNGRPTRHEOH-UHFFFAOYSA-N
MW1154.48 g/mol
LogP7.90
Rot. Bonds9

About 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide

6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide (PubChem CID 159774592) has the molecular formula C56H91N21O6 and a molecular weight of 1154.48 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide
PubChem CID159774592
Molecular FormulaC56H91N21O6
Molecular Weight1154.48 g/mol
Exact Mass1153.75
IUPAC Name6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide
SMILESC.C.C=C1N=C(N)C=CN1C(C)C.C=C1NC(=O)C=CN1C(C)C.CC(=O)Nc1ccn(C(C)C)c(=O)n1.CC1NC(=O)c2ncn(C(C)C)c2N1.CCOC1=NC(C)Nc2c1ncn2C(C)C.COc1nc(N)nc2c1ncn2C(C)C
InChIInChI=1S/C11H18N4O.C9H13N5O.C9H14N4O.C9H13N3O2.C8H13N3.C8H12N2O.2CH4/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)12-5-4-8(10-7(3)13)11-9(12)14;1-6(2)11-5-4-8(9)10-7(11)3;1-6(2)10-5-4-8(11)9-7(10)3;;/h6-8,13H,5H2,1-4H3;4-5H,1-3H3,(H2,10,12,13);4-6,11H,1-3H3,(H,12,14);4-6H,1-3H3,(H,10,11,13,14);4-6H,3H2,1-2H3,(H2,9,10);4-6H,3H2,1-2H3,(H,9,11);2*1H4
InChIKeyNGOLNGRPTRHEOH-UHFFFAOYSA-N
XLogP7.90
TPSA327.19 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001154.48
LogP ≤ 57.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide with MolForge

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Related Compounds

6-ethoxy-2-methyl-9-propan-2-ylpurine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide;1-propan-2-ylpyrimidine-2,4-dione
CID 161186702
2-amino-9-propan-2-yl-1H-purin-6-one;methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide
CID 159578157
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
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
methane;6-methylidene-9-propan-2-yl-1H-purine;4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-6-(2-phenylprop-2-enyl)-3-propan-2-yl-1,6-dihydropyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one
CID 158375558
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
CID 123374621
9-[(4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 160696128
9-propan-2-yl-2-(prop-1-en-2-ylamino)-1H-purin-6-one
CID 158648673
(3S)-3-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]butan-2-one;ethane
CID 90987677
N-[2-(aminomethyl)phenyl]-6-methoxy-9-propan-2-ylpurin-2-amine
CID 164775716
N-[5-(2-amino-4-ethoxypteridin-6-yl)-2-pyridinyl]acetamide
CID 68776058

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide (CID 159774592) is 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide is C.C.C=C1N=C(N)C=CN1C(C)C.C=C1NC(=O)C=CN1C(C)C.CC(=O)Nc1ccn(C(C)C)c(=O)n1.CC1NC(=O)c2ncn(C(C)C)c2N1.CCOC1=NC(C)Nc2c1ncn2C(C)C.COc1nc(N)nc2c1ncn2C(C)C.
What is the InChIKey of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide?
The InChIKey is NGOLNGRPTRHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.C9H13N5O.C9H14N4O.C9H13N3O2.C8H13N3.C8H12N2O.2CH4/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-5(2)14-4-11-6-7(14)12-9(10)13-8(6)15-3;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)12-5-4-8(10-7(3)13)11-9(12)14;1-6(2)11-5-4-8(9)10-7(11)3;1-6(2)10-5-4-8(11)9-7(10)3;;/h6-8,13H,5H2,1-4H3;4-5H,1-3H3,(H2,10,12,13);4-6,11H,1-3H3,(H,12,14);4-6H,1-3H3,(H,10,11,13,14);4-6H,3H2,1-2H3,(H2,9,10);4-6H,3H2,1-2H3,(H,9,11);2*1H4.
What are the key properties of 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide?
6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide has a molecular weight of 1154.48 g/mol, XLogP of 7.90, 9 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-9-propan-2-yl-2,3-dihydropurine;methane;6-methoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;2-methyl-9-propan-2-yl-2,3-dihydro-1H-purin-6-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 159774592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).