2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide

C62H60N34O6 — CID 158626657

IUPAC2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
SMILESCN(C)c1ncnc2nc[nH]c12.Cc1c[nH]c(=O)[nH]c1=O.Nc1ccnc(=O)[nH]1.Nc1nc2nc[nH]c2c(=O)[nH]1.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5O.C5H5N5.C5H6N2O2.C4H5N3O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;1-12(2)7-5-6(9-3-8-5)10-4-11-7;6-5-9-3-2(4(11)10-5)7-1-8-3;6-4-3-5(9-1-7-3)10-2-8-4;1-3-2-6-5(9)7-4(3)8;5-3-1-2-6-4(8)7-3/h1-7H,(H2,13,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-5,7-8H,6H2,(H,13,14,15,16);3-4H,1-2H3,(H,8,9,10,11);1H,(H4,6,7,8,9,10,11);1-2H,(H3,6,7,8,9,10);2H,1H3,(H2,6,7,8,9);1-2H,(H3,5,6,7,8)
InChIKeyHYRHBXAXQIHVPS-UHFFFAOYSA-N
MW1377.39 g/mol
LogP3.81
Rot. Bonds9

About 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide

2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide (PubChem CID 158626657) has the molecular formula C62H60N34O6 and a molecular weight of 1377.39 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
PubChem CID158626657
Molecular FormulaC62H60N34O6
Molecular Weight1377.39 g/mol
Exact Mass1376.54
IUPAC Name2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
SMILESCN(C)c1ncnc2nc[nH]c12.Cc1c[nH]c(=O)[nH]c1=O.Nc1ccnc(=O)[nH]1.Nc1nc2nc[nH]c2c(=O)[nH]1.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5O.C5H5N5.C5H6N2O2.C4H5N3O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;1-12(2)7-5-6(9-3-8-5)10-4-11-7;6-5-9-3-2(4(11)10-5)7-1-8-3;6-4-3-5(9-1-7-3)10-2-8-4;1-3-2-6-5(9)7-4(3)8;5-3-1-2-6-4(8)7-3/h1-7H,(H2,13,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-5,7-8H,6H2,(H,13,14,15,16);3-4H,1-2H3,(H,8,9,10,11);1H,(H4,6,7,8,9,10,11);1-2H,(H3,6,7,8,9,10);2H,1H3,(H2,6,7,8,9);1-2H,(H3,5,6,7,8)
InChIKeyHYRHBXAXQIHVPS-UHFFFAOYSA-N
XLogP3.81
TPSA589.86 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.39
LogP ≤ 53.81
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Analyze 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide with MolForge

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Related Compounds

N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
CID 159372574
4-(aminomethyl)-N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]benzamide;N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 159574480
1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 167700718
2-[9-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-1-[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]-3,7-dioxononan-4-yl]isoindole-1,3-dione
CID 58107594
N'-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)pentanediamide
CID 66867127
(3-Methylbenzoyl)-[[3-[11-methyl-8-(methylamino)-5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,11-pentaen-4-yl]phenyl]methyl]carbamic acid;5-oxa-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene
CID 69908799
N-[1,3-bis[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 88984709
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91465518
N,N'-bis[2-[2-[2-[2-[[4-[(2-amino-9H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[[4-[(2-amino-9H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptanediamide
CID 117766654
N'-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[2-[2-[2-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]-2-(1,3-dioxoisoindol-2-yl)butanediamide
CID 117789478
N-[2-[2-[2-[2-[[4-[[2-(aminodiazenyl)-9H-purin-6-yl]oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[2-[[4-[(2-amino-9H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[[4-[(2-amino-9H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptanediamide
CID 117789494
N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluorophenyl)methyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673791

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide (CID 158626657) is 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide is CN(C)c1ncnc2nc[nH]c12.Cc1c[nH]c(=O)[nH]c1=O.Nc1ccnc(=O)[nH]1.Nc1nc2nc[nH]c2c(=O)[nH]1.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
The InChIKey is HYRHBXAXQIHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5O.C5H5N5.C5H6N2O2.C4H5N3O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;1-12(2)7-5-6(9-3-8-5)10-4-11-7;6-5-9-3-2(4(11)10-5)7-1-8-3;6-4-3-5(9-1-7-3)10-2-8-4;1-3-2-6-5(9)7-4(3)8;5-3-1-2-6-4(8)7-3/h1-7H,(H2,13,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-5,7-8H,6H2,(H,13,14,15,16);3-4H,1-2H3,(H,8,9,10,11);1H,(H4,6,7,8,9,10,11);1-2H,(H3,6,7,8,9,10);2H,1H3,(H2,6,7,8,9);1-2H,(H3,5,6,7,8).
What are the key properties of 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide has a molecular weight of 1377.39 g/mol, XLogP of 3.81, 9 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;6-amino-1H-pyrimidin-2-one;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;5-methyl-1H-pyrimidine-2,4-dione;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 158626657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).