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

C22H23N5O2 — CID 70205863

IUPAC3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESCN(C)CCOc1cccc(-n2cc(-c3cccc(O)c3)c3c(N)ncnc32)c1
InChIInChI=1S/C22H23N5O2/c1-26(2)9-10-29-18-8-4-6-16(12-18)27-13-19(15-5-3-7-17(28)11-15)20-21(23)24-14-25-22(20)27/h3-8,11-14,28H,9-10H2,1-2H3,(H2,23,24,25)
InChIKeyBKDJLECFNMUNFO-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.32
Rot. Bonds6

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

3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol (PubChem CID 70205863) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
PubChem CID70205863
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
SMILESCN(C)CCOc1cccc(-n2cc(-c3cccc(O)c3)c3c(N)ncnc32)c1
InChIInChI=1S/C22H23N5O2/c1-26(2)9-10-29-18-8-4-6-16(12-18)27-13-19(15-5-3-7-17(28)11-15)20-21(23)24-14-25-22(20)27/h3-8,11-14,28H,9-10H2,1-2H3,(H2,23,24,25)
InChIKeyBKDJLECFNMUNFO-UHFFFAOYSA-N
XLogP3.32
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The IUPAC name of 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol (CID 70205863) is 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol is CN(C)CCOc1cccc(-n2cc(-c3cccc(O)c3)c3c(N)ncnc32)c1.
What is the InChIKey of 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
The InChIKey is BKDJLECFNMUNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26(2)9-10-29-18-8-4-6-16(12-18)27-13-19(15-5-3-7-17(28)11-15)20-21(23)24-14-25-22(20)27/h3-8,11-14,28H,9-10H2,1-2H3,(H2,23,24,25).
What are the key properties of 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol?
3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol has a molecular weight of 389.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 70205863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).