5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

C18H24N8O — CID 44600929

IUPAC5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESCC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21
InChIInChI=1S/C18H24N8O/c1-18(2,3)10-26-11-22-15-14(12-8-21-13(19)9-20-12)23-17(24-16(15)26)25-4-6-27-7-5-25/h8-9,11H,4-7,10H2,1-3H3,(H2,19,21)
InChIKeyNNBTZXRCVKPZIC-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.75
Rot. Bonds3

About 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (PubChem CID 44600929) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
PubChem CID44600929
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESCC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21
InChIInChI=1S/C18H24N8O/c1-18(2,3)10-26-11-22-15-14(12-8-21-13(19)9-20-12)23-17(24-16(15)26)25-4-6-27-7-5-25/h8-9,11H,4-7,10H2,1-3H3,(H2,19,21)
InChIKeyNNBTZXRCVKPZIC-UHFFFAOYSA-N
XLogP1.75
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600460
5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600625
5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine
CID 159282694
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 159421682
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
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine
CID 67079929

Frequently Asked Questions

What is the IUPAC name of 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (CID 44600929) is 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is CC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.
What is the InChIKey of 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The InChIKey is NNBTZXRCVKPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-18(2,3)10-26-11-22-15-14(12-8-21-13(19)9-20-12)23-17(24-16(15)26)25-4-6-27-7-5-25/h8-9,11H,4-7,10H2,1-3H3,(H2,19,21).
What are the key properties of 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine has a molecular weight of 368.45 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 44600929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).