2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol

C22H24N6O — CID 59408945

IUPAC2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
SMILESCc1cc(CCNc2nc(-c3cccnc3)nc3c2ncn3C(C)C)ccc1O
InChIInChI=1S/C22H24N6O/c1-14(2)28-13-25-19-21(24-10-8-16-6-7-18(29)15(3)11-16)26-20(27-22(19)28)17-5-4-9-23-12-17/h4-7,9,11-14,29H,8,10H2,1-3H3,(H,24,26,27)
InChIKeyASDLEUALOGRFLJ-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.14
Rot. Bonds6

About 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol

2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol (PubChem CID 59408945) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
PubChem CID59408945
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
SMILESCc1cc(CCNc2nc(-c3cccnc3)nc3c2ncn3C(C)C)ccc1O
InChIInChI=1S/C22H24N6O/c1-14(2)28-13-25-19-21(24-10-8-16-6-7-18(29)15(3)11-16)26-20(27-22(19)28)17-5-4-9-23-12-17/h4-7,9,11-14,29H,8,10H2,1-3H3,(H,24,26,27)
InChIKeyASDLEUALOGRFLJ-UHFFFAOYSA-N
XLogP4.14
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]benzenesulfonamide
CID 67359486
N-[4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenyl]methanesulfonamide
CID 59408944
9-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]-2-pyridin-3-ylpurin-6-amine
CID 59408930
4-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 46215177
N-[2-(5-iodo-1H-indol-3-yl)ethyl]-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
CID 70875118
1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one
CID 59408939
5-[6-[2-(4-methylphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyridine-3-carbonitrile
CID 123605332
2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
CID 168994712
9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine
CID 168994694
1-[3-[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]phenyl]ethanone
CID 117084022
4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol
CID 59408942
N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
CID 25053058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol?
The IUPAC name of 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol (CID 59408945) is 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol.
What is the SMILES notation for 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol?
The canonical SMILES for 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol is Cc1cc(CCNc2nc(-c3cccnc3)nc3c2ncn3C(C)C)ccc1O.
What is the InChIKey of 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol?
The InChIKey is ASDLEUALOGRFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14(2)28-13-25-19-21(24-10-8-16-6-7-18(29)15(3)11-16)26-20(27-22(19)28)17-5-4-9-23-12-17/h4-7,9,11-14,29H,8,10H2,1-3H3,(H,24,26,27).
What are the key properties of 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol?
2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol has a molecular weight of 388.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol is sourced from PubChem (CID 59408945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).