5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

C92H102F2N40O6 — CID 123168340

IUPAC5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESCC(C1CC1)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2c(F)cccc2F)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cn1
InChIInChI=1S/C20H18F2N8O.C20H20N8O.C18H22N8O.C17H22N8O2.C17H20N8O/c21-13-2-1-3-14(22)12(13)10-30-11-26-18-17(15-8-25-16(23)9-24-15)27-20(28-19(18)30)29-4-6-31-7-5-29;21-16-11-22-15(10-23-16)17-18-19(26-20(25-17)27-6-8-29-9-7-27)28(13-24-18)12-14-4-2-1-3-5-14;1-11(12-2-3-12)26-10-22-16-15(13-8-21-14(19)9-20-13)23-18(24-17(16)26)25-4-6-27-7-5-25;1-11(9-26-2)25-10-21-15-14(12-7-20-13(18)8-19-12)22-17(23-16(15)25)24-3-5-27-6-4-24;18-13-8-19-12(7-20-13)14-15-16(25(10-21-15)9-11-1-2-11)23-17(22-14)24-3-5-26-6-4-24/h1-3,8-9,11H,4-7,10H2,(H2,23,25);1-5,10-11,13H,6-9,12H2,(H2,21,23);8-12H,2-7H2,1H3,(H2,19,21);7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20);7-8,10-11H,1-6,9H2,(H2,18,20)
InChIKeyKNJFJMGKUBIVJP-UHFFFAOYSA-N
MW1902.10 g/mol
LogP7.47
Rot. Bonds21

About 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (PubChem CID 123168340) has the molecular formula C92H102F2N40O6 and a molecular weight of 1902.10 g/mol. Its IUPAC name is 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
PubChem CID123168340
Molecular FormulaC92H102F2N40O6
Molecular Weight1902.10 g/mol
Exact Mass1900.89
IUPAC Name5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESCC(C1CC1)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2c(F)cccc2F)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cn1
InChIInChI=1S/C20H18F2N8O.C20H20N8O.C18H22N8O.C17H22N8O2.C17H20N8O/c21-13-2-1-3-14(22)12(13)10-30-11-26-18-17(15-8-25-16(23)9-24-15)27-20(28-19(18)30)29-4-6-31-7-5-29;21-16-11-22-15(10-23-16)17-18-19(26-20(25-17)27-6-8-29-9-7-27)28(13-24-18)12-14-4-2-1-3-5-14;1-11(12-2-3-12)26-10-22-16-15(13-8-21-14(19)9-20-13)23-18(24-17(16)26)25-4-6-27-7-5-25;1-11(9-26-2)25-10-21-15-14(12-7-20-13(18)8-19-12)22-17(23-16(15)25)24-3-5-27-6-4-24;18-13-8-19-12(7-20-13)14-15-16(25(10-21-15)9-11-1-2-11)23-17(22-14)24-3-5-26-6-4-24/h1-3,8-9,11H,4-7,10H2,(H2,23,25);1-5,10-11,13H,6-9,12H2,(H2,21,23);8-12H,2-7H2,1H3,(H2,19,21);7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20);7-8,10-11H,1-6,9H2,(H2,18,20)
InChIKeyKNJFJMGKUBIVJP-UHFFFAOYSA-N
XLogP7.47
TPSA548.58 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.10
LogP ≤ 57.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Analyze 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine with MolForge

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Related Compounds

US10703755, Example 122
CID 132076877
US10703755, Example 129
CID 138700786
US10703755, Example 130
CID 138700957
N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholino-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10143725
N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117080847
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[(2R)-2-methyl-2-(2-morpholin-4-ylethyl)morpholin-4-yl]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 146327209
2-(4-morpholin-4-ylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117080124
N-[2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117080201
N-(4-morpholin-4-ylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117081539
N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117082327
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084026
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117091938

Frequently Asked Questions

What is the IUPAC name of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (CID 123168340) is 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is CC(C1CC1)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2c(F)cccc2F)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cn1.
What is the InChIKey of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The InChIKey is KNJFJMGKUBIVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N8O.C20H20N8O.C18H22N8O.C17H22N8O2.C17H20N8O/c21-13-2-1-3-14(22)12(13)10-30-11-26-18-17(15-8-25-16(23)9-24-15)27-20(28-19(18)30)29-4-6-31-7-5-29;21-16-11-22-15(10-23-16)17-18-19(26-20(25-17)27-6-8-29-9-7-27)28(13-24-18)12-14-4-2-1-3-5-14;1-11(12-2-3-12)26-10-22-16-15(13-8-21-14(19)9-20-13)23-18(24-17(16)26)25-4-6-27-7-5-25;1-11(9-26-2)25-10-21-15-14(12-7-20-13(18)8-19-12)22-17(23-16(15)25)24-3-5-27-6-4-24;18-13-8-19-12(7-20-13)14-15-16(25(10-21-15)9-11-1-2-11)23-17(22-14)24-3-5-26-6-4-24/h1-3,8-9,11H,4-7,10H2,(H2,23,25);1-5,10-11,13H,6-9,12H2,(H2,21,23);8-12H,2-7H2,1H3,(H2,19,21);7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20);7-8,10-11H,1-6,9H2,(H2,18,20).
What are the key properties of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine has a molecular weight of 1902.10 g/mol, XLogP of 7.47, 21 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 123168340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).