2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol

C19H26N6O — CID 23393285

IUPAC2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H26N6O/c1-12(2)15(10-26)22-19-23-17(21-14-8-6-5-7-9-14)16-18(24-19)25(11-20-16)13(3)4/h5-9,11-13,15,26H,10H2,1-4H3,(H2,21,22,23,24)
InChIKeyAMWNMXOYNCVODT-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.58
Rot. Bonds7

About 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol

2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 23393285) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID23393285
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H26N6O/c1-12(2)15(10-26)22-19-23-17(21-14-8-6-5-7-9-14)16-18(24-19)25(11-20-16)13(3)4/h5-9,11-13,15,26H,10H2,1-4H3,(H2,21,22,23,24)
InChIKeyAMWNMXOYNCVODT-UHFFFAOYSA-N
XLogP3.58
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]-2-methylphenol
CID 59098477
(2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 6604931
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
1-[2-chloro-4-[[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]ethanone
CID 70920849
3-methyl-2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;sulfane
CID 161351604
(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 171851734
2-iodo-N-phenyl-9-propan-2-ylpurin-6-amine
CID 11794083
3-methyl-2-[[6-[(5-piperazin-1-yl-2-pyridinyl)amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
CID 68898587
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117080255
(2R)-2-[[6-(3-nitrosoanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
CID 89135575
6-N-(2-phenoxyethyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117083902
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186

Frequently Asked Questions

What is the IUPAC name of 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol (CID 23393285) is 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is AMWNMXOYNCVODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-12(2)15(10-26)22-19-23-17(21-14-8-6-5-7-9-14)16-18(24-19)25(11-20-16)13(3)4/h5-9,11-13,15,26H,10H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol?
2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 23393285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).