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

C16H20N8O — CID 70224122

IUPAC5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
SMILESCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyNGDDJJKHNGAOCH-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.28
Rot. Bonds3

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

5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine (PubChem CID 70224122) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
PubChem CID70224122
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
SMILESCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyNGDDJJKHNGAOCH-UHFFFAOYSA-N
XLogP1.28
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249
5-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600460
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
(2S)-2-amino-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]propan-1-one
CID 58285310
5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 46938046
5-[9-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
CID 143785492
5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 118444322
5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600625
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine (CID 70224122) is 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine is CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The InChIKey is NGDDJJKHNGAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine has a molecular weight of 340.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 70224122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).