3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol

C25H28N8O2 — CID 42632989

IUPAC3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCN(c5ncccn5)CC4)c3n2)c1
InChIInChI=1S/C25H28N8O2/c34-20-4-1-3-18(15-20)23-29-21-19(16-28-22(21)24(30-23)32-11-13-35-14-12-32)17-31-7-9-33(10-8-31)25-26-5-2-6-27-25/h1-6,15-16,28,34H,7-14,17H2
InChIKeyUNORLDKXWJJXJY-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.28
Rot. Bonds5

About 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol

3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 42632989) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
PubChem CID42632989
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCN(c5ncccn5)CC4)c3n2)c1
InChIInChI=1S/C25H28N8O2/c34-20-4-1-3-18(15-20)23-29-21-19(16-28-22(21)24(30-23)32-11-13-35-14-12-32)17-31-7-9-33(10-8-31)25-26-5-2-6-27-25/h1-6,15-16,28,34H,7-14,17H2
InChIKeyUNORLDKXWJJXJY-UHFFFAOYSA-N
XLogP2.28
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol with MolForge

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(6-morpholino-9H-purin-2-yl)phenol
CID 16049458
3-[7-(1h-Benzimidazol-5-Yl)-2-(Morpholin-4-Yl)-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl]phenol
CID 24888922
Pyrazolo pyrimidine, 1
CID 44232672
2-(6-morpholino-9H-purin-2-yl)phenol
CID 135955185
4-(6-morpholino-9H-purin-2-yl)phenol
CID 135955186
N-hydroxy-2-[[2-(3-hydroxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648346
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918

Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol (CID 42632989) is 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(CN4CCN(c5ncccn5)CC4)c3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is UNORLDKXWJJXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c34-20-4-1-3-18(15-20)23-29-21-19(16-28-22(21)24(30-23)32-11-13-35-14-12-32)17-31-7-9-33(10-8-31)25-26-5-2-6-27-25/h1-6,15-16,28,34H,7-14,17H2.
What are the key properties of 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 472.55 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 42632989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).