5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine

C93H114N40O9 — CID 161458998

IUPAC5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine
SMILESCC(C1CC1)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(c1ccccc1)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)nc3OC)nc(N3CCOCC3)nc21.COc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1ncn2C(C)C1CC1
InChIInChI=1S/C21H22N8O.C19H24N8O2.C18H24N8O3.C18H22N8O.C17H22N8O2/c1-14(15-5-3-2-4-6-15)29-13-25-18-17(16-11-23-20(22)24-12-16)26-21(27-19(18)29)28-7-9-30-10-8-28;1-11(12-3-4-12)27-10-22-15-14(13-9-21-18(20)25-17(13)28-2)23-19(24-16(15)27)26-5-7-29-8-6-26;1-11(9-27-2)26-10-21-14-13(12-8-20-17(19)24-16(12)28-3)22-18(23-15(14)26)25-4-6-29-7-5-25;1-11(12-2-3-12)26-10-22-15-14(13-8-20-17(19)21-9-13)23-18(24-16(15)26)25-4-6-27-7-5-25;1-11(9-26-2)25-10-21-14-13(12-7-19-16(18)20-8-12)22-17(23-15(14)25)24-3-5-27-6-4-24/h2-6,11-14H,7-10H2,1H3,(H2,22,23,24);9-12H,3-8H2,1-2H3,(H2,20,21,25);8,10-11H,4-7,9H2,1-3H3,(H2,19,20,24);8-12H,2-7H2,1H3,(H2,19,20,21);7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyWBNWDFGLXXHQAO-UHFFFAOYSA-N
MW1936.21 g/mol
LogP7.49
Rot. Bonds24

About 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine

5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine (PubChem CID 161458998) has the molecular formula C93H114N40O9 and a molecular weight of 1936.21 g/mol. Its IUPAC name is 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine
PubChem CID161458998
Molecular FormulaC93H114N40O9
Molecular Weight1936.21 g/mol
Exact Mass1934.97
IUPAC Name5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine
SMILESCC(C1CC1)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(c1ccccc1)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)nc3OC)nc(N3CCOCC3)nc21.COc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1ncn2C(C)C1CC1
InChIInChI=1S/C21H22N8O.C19H24N8O2.C18H24N8O3.C18H22N8O.C17H22N8O2/c1-14(15-5-3-2-4-6-15)29-13-25-18-17(16-11-23-20(22)24-12-16)26-21(27-19(18)29)28-7-9-30-10-8-28;1-11(12-3-4-12)27-10-22-15-14(13-9-21-18(20)25-17(13)28-2)23-19(24-16(15)27)26-5-7-29-8-6-26;1-11(9-27-2)26-10-21-14-13(12-8-20-17(19)24-16(12)28-3)22-18(23-15(14)26)25-4-6-29-7-5-25;1-11(12-2-3-12)26-10-22-15-14(13-8-20-17(19)21-9-13)23-18(24-16(15)26)25-4-6-27-7-5-25;1-11(9-26-2)25-10-21-14-13(12-7-19-16(18)20-8-12)22-17(23-15(14)25)24-3-5-27-6-4-24/h2-6,11-14H,7-10H2,1H3,(H2,22,23,24);9-12H,3-8H2,1-2H3,(H2,20,21,25);8,10-11H,4-7,9H2,1-3H3,(H2,19,20,24);8-12H,2-7H2,1H3,(H2,19,20,21);7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyWBNWDFGLXXHQAO-UHFFFAOYSA-N
XLogP7.49
TPSA576.27 Ų
H-Bond Donors5
H-Bond Acceptors49
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.21
LogP ≤ 57.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1049

Analyze 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine 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

5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600625
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
2-[6-(3-methylphenyl)-2-[2-[3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenoxy]morpholin-4-yl]purin-9-yl]acetonitrile
CID 143785485
4-[9-benzyl-6-(1H-inden-4-yl)purin-2-yl]morpholine;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-(4-methylpiperazin-1-yl)ethanone;4-[6-(1H-inden-4-yl)-9-(2-methoxyethyl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-phenylethyl)purin-2-yl]morpholine
CID 123135964
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 46938046
(2S)-2-amino-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]propan-1-one
CID 58285310

Frequently Asked Questions

What is the IUPAC name of 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine (CID 161458998) is 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine is CC(C1CC1)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(c1ccccc1)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.COCC(C)n1cnc2c(-c3cnc(N)nc3OC)nc(N3CCOCC3)nc21.COc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c1ncn2C(C)C1CC1.
What is the InChIKey of 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine?
The InChIKey is WBNWDFGLXXHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O.C19H24N8O2.C18H24N8O3.C18H22N8O.C17H22N8O2/c1-14(15-5-3-2-4-6-15)29-13-25-18-17(16-11-23-20(22)24-12-16)26-21(27-19(18)29)28-7-9-30-10-8-28;1-11(12-3-4-12)27-10-22-15-14(13-9-21-18(20)25-17(13)28-2)23-19(24-16(15)27)26-5-7-29-8-6-26;1-11(9-27-2)26-10-21-14-13(12-8-20-17(19)24-16(12)28-3)22-18(23-15(14)26)25-4-6-29-7-5-25;1-11(12-2-3-12)26-10-22-15-14(13-8-20-17(19)21-9-13)23-18(24-16(15)26)25-4-6-27-7-5-25;1-11(9-26-2)25-10-21-14-13(12-7-19-16(18)20-8-12)22-17(23-15(14)25)24-3-5-27-6-4-24/h2-6,11-14H,7-10H2,1H3,(H2,22,23,24);9-12H,3-8H2,1-2H3,(H2,20,21,25);8,10-11H,4-7,9H2,1-3H3,(H2,19,20,24);8-12H,2-7H2,1H3,(H2,19,20,21);7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine?
5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine has a molecular weight of 1936.21 g/mol, XLogP of 7.49, 24 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 161458998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).