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

C16H16N4O2 — CID 42635321

IUPAC3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1
InChIInChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)15-18-13-4-5-17-14(13)16(19-15)20-6-8-22-9-7-20/h1-5,10,17,21H,6-9H2
InChIKeySWHURECMIKRYCE-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.17
Rot. Bonds2

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

3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 42635321) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
PubChem CID42635321
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1
InChIInChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)15-18-13-4-5-17-14(13)16(19-15)20-6-8-22-9-7-20/h1-5,10,17,21H,6-9H2
InChIKeySWHURECMIKRYCE-UHFFFAOYSA-N
XLogP2.17
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

RP107
CID 448912
6-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]pyridin-3-ol
CID 9861462
3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenol
CID 10339994
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
3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
2-(6-morpholino-9H-purin-2-yl)phenol
CID 135955185
4-(6-morpholino-9H-purin-2-yl)phenol
CID 135955186
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
7-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
CID 118366972

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol (CID 42635321) is 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1.
What is the InChIKey of 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is SWHURECMIKRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-12-3-1-2-11(10-12)15-18-13-4-5-17-14(13)16(19-15)20-6-8-22-9-7-20/h1-5,10,17,21H,6-9H2.
What are the key properties of 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol?
3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 296.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 42635321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).