9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine

C19H24N6O — CID 166396031

IUPAC9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
SMILESCCn1cnc2c(N3CCOCC3)nc(NCc3ccc(C)cc3)nc21
InChIInChI=1S/C19H24N6O/c1-3-24-13-21-16-17(24)22-19(20-12-15-6-4-14(2)5-7-15)23-18(16)25-8-10-26-11-9-25/h4-7,13H,3,8-12H2,1-2H3,(H,20,22,23)
InChIKeyKMXVPUMRYPZKAR-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.60
Rot. Bonds5

About 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine

9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine (PubChem CID 166396031) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine.

Molecular Properties

Compound Name9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
PubChem CID166396031
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
SMILESCCn1cnc2c(N3CCOCC3)nc(NCc3ccc(C)cc3)nc21
InChIInChI=1S/C19H24N6O/c1-3-24-13-21-16-17(24)22-19(20-12-15-6-4-14(2)5-7-15)23-18(16)25-8-10-26-11-9-25/h4-7,13H,3,8-12H2,1-2H3,(H,20,22,23)
InChIKeyKMXVPUMRYPZKAR-UHFFFAOYSA-N
XLogP2.60
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
[4-[9-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(4-methylphenyl)methylamino]purin-6-yl]piperazin-1-yl]-phenylmethanone
CID 158842805
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-9-propan-2-ylpurin-2-amine
CID 10960266
N-[[4-(diethylamino)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
CID 142588363
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
2-[6-morpholin-4-yl-2-(pentanoylamino)purin-9-yl]acetic acid
CID 53320439
3-amino-N'-(dimethylsulfamoyl)-N-(9-ethyl-6-morpholin-4-ylpurin-2-yl)-3-phenylprop-2-enimidamide
CID 174079835
1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216392
ethyl 2-[[9-[(3,4-dimethoxyphenyl)methyl]-6-morpholin-4-ylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 10280417

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine?
The IUPAC name of 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine (CID 166396031) is 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine.
What is the SMILES notation for 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine?
The canonical SMILES for 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine is CCn1cnc2c(N3CCOCC3)nc(NCc3ccc(C)cc3)nc21.
What is the InChIKey of 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine?
The InChIKey is KMXVPUMRYPZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-24-13-21-16-17(24)22-19(20-12-15-6-4-14(2)5-7-15)23-18(16)25-8-10-26-11-9-25/h4-7,13H,3,8-12H2,1-2H3,(H,20,22,23).
What are the key properties of 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine?
9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine is sourced from PubChem (CID 166396031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).