4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol

C22H25N7O2 — CID 142743814

IUPAC4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol
SMILESCOc1c(C)cnc(Cn2cnc3c(NCCc4ccc(O)cc4)nc(N)nc32)c1C
InChIInChI=1S/C22H25N7O2/c1-13-10-25-17(14(2)19(13)31-3)11-29-12-26-18-20(27-22(23)28-21(18)29)24-9-8-15-4-6-16(30)7-5-15/h4-7,10,12,30H,8-9,11H2,1-3H3,(H3,23,24,27,28)
InChIKeyHPKAQEJFZRVYFF-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.84
Rot. Bonds7

About 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol

4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol (PubChem CID 142743814) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol
PubChem CID142743814
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol
SMILESCOc1c(C)cnc(Cn2cnc3c(NCCc4ccc(O)cc4)nc(N)nc32)c1C
InChIInChI=1S/C22H25N7O2/c1-13-10-25-17(14(2)19(13)31-3)11-29-12-26-18-20(27-22(23)28-21(18)29)24-9-8-15-4-6-16(30)7-5-15/h4-7,10,12,30H,8-9,11H2,1-3H3,(H3,23,24,27,28)
InChIKeyHPKAQEJFZRVYFF-UHFFFAOYSA-N
XLogP2.84
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
[4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]piperazin-1-yl]-[1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]methanone
CID 178030894
5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 58014058
4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol
CID 89173388
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
CID 163877048
6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
CID 143429632
[4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]piperazin-1-yl]-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]methanone
CID 178031117
(2R,3R,4S,5R)-2-[2-amino-6-[2-(4-methoxyphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10669579
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 43826046
9-[(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methyl]-6-iodopurin-2-amine
CID 143429725
2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]propane-1,2,3-triol
CID 88579138

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol (CID 142743814) is 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol is COc1c(C)cnc(Cn2cnc3c(NCCc4ccc(O)cc4)nc(N)nc32)c1C.
What is the InChIKey of 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol?
The InChIKey is HPKAQEJFZRVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13-10-25-17(14(2)19(13)31-3)11-29-12-26-18-20(27-22(23)28-21(18)29)24-9-8-15-4-6-16(30)7-5-15/h4-7,10,12,30H,8-9,11H2,1-3H3,(H3,23,24,27,28).
What are the key properties of 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol?
4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol has a molecular weight of 419.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 142743814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).