9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine

C13H20N6O — CID 69098224

IUPAC9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
SMILESCC[C@@H](C)n1cnc2c(N)nc(N3CCOCC3)nc21
InChIInChI=1S/C13H20N6O/c1-3-9(2)19-8-15-10-11(14)16-13(17-12(10)19)18-4-6-20-7-5-18/h8-9H,3-7H2,1-2H3,(H2,14,16,17)/t9-/m1/s1
InChIKeyGOKDPSWAUNAOFI-SECBINFHSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds3

About 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine

9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine (PubChem CID 69098224) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine.

Molecular Properties

Compound Name9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
PubChem CID69098224
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
SMILESCC[C@@H](C)n1cnc2c(N)nc(N3CCOCC3)nc21
InChIInChI=1S/C13H20N6O/c1-3-9(2)19-8-15-10-11(14)16-13(17-12(10)19)18-4-6-20-7-5-18/h8-9H,3-7H2,1-2H3,(H2,14,16,17)/t9-/m1/s1
InChIKeyGOKDPSWAUNAOFI-SECBINFHSA-N
XLogP1.22
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600625
5-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600460
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823
(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 159335563
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600929
ethyl 2-[[[9-(1-ethoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]amino]methyl]-1H-benzimidazole-4-carboxylate
CID 50930768
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
5-[9-[1-[[5-(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)-2-pyridinyl]amino]propyl]-2-morpholin-4-ylpurin-6-yl]pyridin-2-amine
CID 70271202
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine?
The IUPAC name of 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine (CID 69098224) is 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine.
What is the SMILES notation for 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine?
The canonical SMILES for 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine is CC[C@@H](C)n1cnc2c(N)nc(N3CCOCC3)nc21.
What is the InChIKey of 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine?
The InChIKey is GOKDPSWAUNAOFI-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-9(2)19-8-15-10-11(14)16-13(17-12(10)19)18-4-6-20-7-5-18/h8-9H,3-7H2,1-2H3,(H2,14,16,17)/t9-/m1/s1.
What are the key properties of 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine?
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine has a molecular weight of 276.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine is sourced from PubChem (CID 69098224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).