3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol

C22H23N5O — CID 44565877

IUPAC3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESCN(C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C22H23N5O/c1-26(2)11-10-15-6-3-4-9-19(15)27-13-18(16-7-5-8-17(28)12-16)20-21(23)24-14-25-22(20)27/h3-9,12-14,28H,10-11H2,1-2H3,(H2,23,24,25)
InChIKeyMUIFSXZDNITPGB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.48
Rot. Bonds5

About 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol

3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol (PubChem CID 44565877) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
PubChem CID44565877
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESCN(C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C22H23N5O/c1-26(2)11-10-15-6-3-4-9-19(15)27-13-18(16-7-5-8-17(28)12-16)20-21(23)24-14-25-22(20)27/h3-9,12-14,28H,10-11H2,1-2H3,(H2,23,24,25)
InChIKeyMUIFSXZDNITPGB-UHFFFAOYSA-N
XLogP3.48
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The IUPAC name of 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol (CID 44565877) is 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol is CN(C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The InChIKey is MUIFSXZDNITPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26(2)11-10-15-6-3-4-9-19(15)27-13-18(16-7-5-8-17(28)12-16)20-21(23)24-14-25-22(20)27/h3-9,12-14,28H,10-11H2,1-2H3,(H2,23,24,25).
What are the key properties of 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol has a molecular weight of 373.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 44565877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).