3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol

C20H25N5O2 — CID 44600808

IUPAC3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol
SMILESCN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C20H25N5O2/c1-23(2)8-9-24-7-6-17-19(24)21-18(15-4-3-5-16(26)14-15)22-20(17)25-10-12-27-13-11-25/h3-7,14,26H,8-13H2,1-2H3
InChIKeyZQHXGKGYHLTMOL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.20
Rot. Bonds5

About 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol

3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol (PubChem CID 44600808) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol
PubChem CID44600808
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol
SMILESCN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C20H25N5O2/c1-23(2)8-9-24-7-6-17-19(24)21-18(15-4-3-5-16(26)14-15)22-20(17)25-10-12-27-13-11-25/h3-7,14,26H,8-13H2,1-2H3
InChIKeyZQHXGKGYHLTMOL-UHFFFAOYSA-N
XLogP2.20
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44600955
1-[4-[7-[2-[2-(dimethylamino)ethylamino]ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44601448
3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42632987
3-[11-[(dimethylamino)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol
CID 58507923
4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
CID 46201892
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
3-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenol
CID 89120666
2-[2-(dimethylamino)ethyl]-4-[[5-(3-hydroxyphenyl)-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl]methyl]benzamide
CID 143835582
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
CID 118213801
4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol (CID 44600808) is 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol is CN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21.
What is the InChIKey of 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol?
The InChIKey is ZQHXGKGYHLTMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23(2)8-9-24-7-6-17-19(24)21-18(15-4-3-5-16(26)14-15)22-20(17)25-10-12-27-13-11-25/h3-7,14,26H,8-13H2,1-2H3.
What are the key properties of 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol?
3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol has a molecular weight of 367.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 44600808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).