(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol

C18H24N6O2 — CID 21039974

IUPAC(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(Nc2cccc(OC)c2)c2ncn(CC)c2n1
InChIInChI=1S/C18H24N6O2/c1-4-12(10-25)21-18-22-16(15-17(23-18)24(5-2)11-19-15)20-13-7-6-8-14(9-13)26-3/h6-9,11-12,25H,4-5,10H2,1-3H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKeyUUHWYUVOPCYSOQ-GFCCVEGCSA-N
MW356.43 g/mol
LogP2.78
Rot. Bonds8

About (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol

(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol (PubChem CID 21039974) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol
PubChem CID21039974
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(Nc2cccc(OC)c2)c2ncn(CC)c2n1
InChIInChI=1S/C18H24N6O2/c1-4-12(10-25)21-18-22-16(15-17(23-18)24(5-2)11-19-15)20-13-7-6-8-14(9-13)26-3/h6-9,11-12,25H,4-5,10H2,1-3H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKeyUUHWYUVOPCYSOQ-GFCCVEGCSA-N
XLogP2.78
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[6-(3-nitrosoanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
CID 89135575
N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
CID 165433989
2-chloro-N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 11001320
2-[[6-[(2-amino-5-methoxyphenyl)methylamino]-9-cyclohexylpurin-2-yl]amino]butan-1-ol
CID 46927644
2-[[7-(3-chloroanilino)-2H-triazolo[4,5-d]pyrimidin-5-yl]amino]butan-1-ol
CID 68645365
3-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzonitrile
CID 23917732
2-[[7-(4-amino-3-chloroanilino)-3-propan-2-yltriazolo[4,5-d]pyrimidin-5-yl]amino]butan-1-ol
CID 68645779
(2R)-2-[[6-[(5-methylthiophen-2-yl)methylamino]-9-propylpurin-2-yl]amino]butan-1-ol
CID 71463101
2-[[7-(4-chloroanilino)-3-ethyltriazolo[4,5-d]pyrimidin-5-yl]amino]butan-1-ol
CID 68646189
2-(3-methoxyanilino)pentan-1-ol
CID 61050273
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;ethane
CID 145002763
2-[2-(2-anilino-6-methoxypurin-9-yl)ethyl]propane-1,3-diol
CID 70019999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol (CID 21039974) is (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(Nc2cccc(OC)c2)c2ncn(CC)c2n1.
What is the InChIKey of (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol?
The InChIKey is UUHWYUVOPCYSOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-4-12(10-25)21-18-22-16(15-17(23-18)24(5-2)11-19-15)20-13-7-6-8-14(9-13)26-3/h6-9,11-12,25H,4-5,10H2,1-3H3,(H2,20,21,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol?
(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 21039974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).