4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol

C19H20N6OS — CID 59408942

IUPAC4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3cncs3)nc21
InChIInChI=1S/C19H20N6OS/c1-12(2)25-10-22-16-18(21-8-7-13-3-5-14(26)6-4-13)23-17(24-19(16)25)15-9-20-11-27-15/h3-6,9-12,26H,7-8H2,1-2H3,(H,21,23,24)
InChIKeySAMLVSQOZNMHCV-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.89
Rot. Bonds6

About 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol

4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol (PubChem CID 59408942) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol
PubChem CID59408942
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3cncs3)nc21
InChIInChI=1S/C19H20N6OS/c1-12(2)25-10-22-16-18(21-8-7-13-3-5-14(26)6-4-13)23-17(24-19(16)25)15-9-20-11-27-15/h3-6,9-12,26H,7-8H2,1-2H3,(H,21,23,24)
InChIKeySAMLVSQOZNMHCV-UHFFFAOYSA-N
XLogP3.89
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[2-(5-fluoro-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 46215177
4-[2-[[9-propan-2-yl-2-(pyrazin-2-ylamino)purin-6-yl]amino]ethyl]phenol
CID 117082206
4-[2-[[2-(4,5-dimethylimidazol-1-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 59408909
5-[6-[2-(4-methylphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyridine-3-carbonitrile
CID 123605332
2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
CID 59408945
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
2-(1-benzothiophen-3-yl)-9-propan-2-yl-N-(2-thiophen-3-ylethyl)purin-6-amine
CID 59408928
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117082898
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
9-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]-2-pyridin-3-ylpurin-6-amine
CID 59408930
4-[2-[[2-(4-methoxyphenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117084437

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol (CID 59408942) is 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol is CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3cncs3)nc21.
What is the InChIKey of 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol?
The InChIKey is SAMLVSQOZNMHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12(2)25-10-22-16-18(21-8-7-13-3-5-14(26)6-4-13)23-17(24-19(16)25)15-9-20-11-27-15/h3-6,9-12,26H,7-8H2,1-2H3,(H,21,23,24).
What are the key properties of 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol?
4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol has a molecular weight of 380.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[9-propan-2-yl-2-(1,3-thiazol-5-yl)purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 59408942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).