[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine

C78H88N34O6S — CID 158343329

IUPAC[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine
SMILESCCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3C)nc21.Cc1ccc(C(=O)N2CCC(n3cnc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)s1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(C(=O)c3ccccc3)C2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H25N9O2.C23H25N9O2S.C18H24N8O.C13H14N8O/c25-23-26-12-17(13-27-23)19-20-21(30-24(29-19)31-8-10-35-11-9-31)33(15-28-20)18-6-7-32(14-18)22(34)16-4-2-1-3-5-16;1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30;1-4-11(2)26-10-22-15-14(13-7-20-17(19)21-8-13)23-18(24-16(15)26)25-5-6-27-9-12(25)3;14-12-15-5-8(6-16-12)9-10-11(18-7-17-10)20-13(19-9)21-1-3-22-4-2-21/h1-5,12-13,15,18H,6-11,14H2,(H2,25,26,27);2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26);7-8,10-12H,4-6,9H2,1-3H3,(H2,19,20,21);5-7H,1-4H2,(H2,14,15,16)(H,17,18,19,20)
InChIKeyGRKQCCHFHUYMRD-UHFFFAOYSA-N
MW1629.86 g/mol
LogP6.24
Rot. Bonds14

About [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine

[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine (PubChem CID 158343329) has the molecular formula C78H88N34O6S and a molecular weight of 1629.86 g/mol. Its IUPAC name is [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine
PubChem CID158343329
Molecular FormulaC78H88N34O6S
Molecular Weight1629.86 g/mol
Exact Mass1628.73
IUPAC Name[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine
SMILESCCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3C)nc21.Cc1ccc(C(=O)N2CCC(n3cnc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)s1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(C(=O)c3ccccc3)C2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H25N9O2.C23H25N9O2S.C18H24N8O.C13H14N8O/c25-23-26-12-17(13-27-23)19-20-21(30-24(29-19)31-8-10-35-11-9-31)33(15-28-20)18-6-7-32(14-18)22(34)16-4-2-1-3-5-16;1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30;1-4-11(2)26-10-22-15-14(13-7-20-17(19)21-8-13)23-18(24-16(15)26)25-5-6-27-9-12(25)3;14-12-15-5-8(6-16-12)9-10-11(18-7-17-10)20-13(19-9)21-1-3-22-4-2-21/h1-5,12-13,15,18H,6-11,14H2,(H2,25,26,27);2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26);7-8,10-12H,4-6,9H2,1-3H3,(H2,19,20,21);5-7H,1-4H2,(H2,14,15,16)(H,17,18,19,20)
InChIKeyGRKQCCHFHUYMRD-UHFFFAOYSA-N
XLogP6.24
TPSA482.96 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.86
LogP ≤ 56.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine with MolForge

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Related Compounds

(3-(7-Methyl-4-morpholino-2-(1h-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 24968941
{3-[6-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]-pyrrolidin-1-yl}-(5-methyl-thiophen-2-yl)-methanone
CID 25256061
[4-[6-(1H-indol-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 25256639
(3-(2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-(1-methylpiperidin-4-yl)piperazin-1-yl)methanone
CID 59829395
[5-[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 68860612
[3-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 70820128
N-[1-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 75182932
4-[9-methyl-8-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)purin-6-yl]morpholine;4-[6-(morpholin-4-ylmethyl)-2-(1H-pyrrolo[3,2-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87577839
1-[4-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]urea
CID 87639701
[4-[2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 122602817
N-[1-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-9-ium-2-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 123531117
N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 123986899

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine?
The IUPAC name of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine (CID 158343329) is [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine?
The canonical SMILES for [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine is CCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3C)nc21.Cc1ccc(C(=O)N2CCC(n3cnc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)s1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(C(=O)c3ccccc3)C2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1.
What is the InChIKey of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine?
The InChIKey is GRKQCCHFHUYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O2.C23H25N9O2S.C18H24N8O.C13H14N8O/c25-23-26-12-17(13-27-23)19-20-21(30-24(29-19)31-8-10-35-11-9-31)33(15-28-20)18-6-7-32(14-18)22(34)16-4-2-1-3-5-16;1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30;1-4-11(2)26-10-22-15-14(13-7-20-17(19)21-8-13)23-18(24-16(15)26)25-5-6-27-9-12(25)3;14-12-15-5-8(6-16-12)9-10-11(18-7-17-10)20-13(19-9)21-1-3-22-4-2-21/h1-5,12-13,15,18H,6-11,14H2,(H2,25,26,27);2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26);7-8,10-12H,4-6,9H2,1-3H3,(H2,19,20,21);5-7H,1-4H2,(H2,14,15,16)(H,17,18,19,20).
What are the key properties of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine?
[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine has a molecular weight of 1629.86 g/mol, XLogP of 6.24, 14 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 158343329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).