5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine

C20H20N8O — CID 59588823

IUPAC5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cn1
InChIInChI=1S/C20H20N8O/c21-19-22-10-15(11-23-19)16-17-18(26-20(25-16)27-6-8-29-9-7-27)28(13-24-17)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H2,21,22,23)
InChIKeyMIUQSFBQAVMMJQ-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.75
Rot. Bonds4

About 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine

5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine (PubChem CID 59588823) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
PubChem CID59588823
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cn1
InChIInChI=1S/C20H20N8O/c21-19-22-10-15(11-23-19)16-17-18(26-20(25-16)27-6-8-29-9-7-27)28(13-24-17)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H2,21,22,23)
InChIKeyMIUQSFBQAVMMJQ-UHFFFAOYSA-N
XLogP1.75
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249
5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine
CID 67079929
4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
CID 58102423
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
2-morpholin-4-yl-N-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084514
5-[9-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
CID 143785492
3-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 68731809
5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600929

Frequently Asked Questions

What is the IUPAC name of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine (CID 59588823) is 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3Cc2ccccc2)cn1.
What is the InChIKey of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine?
The InChIKey is MIUQSFBQAVMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c21-19-22-10-15(11-23-19)16-17-18(26-20(25-16)27-6-8-29-9-7-27)28(13-24-17)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H2,21,22,23).
What are the key properties of 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine?
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine has a molecular weight of 388.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 59588823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).