6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol

C17H17FN4O2 — CID 155545635

IUPAC6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol
SMILESOc1c2cnc(N3CCOCC3)nc2cn1Cc1cccc(F)c1
InChIInChI=1S/C17H17FN4O2/c18-13-3-1-2-12(8-13)10-22-11-15-14(16(22)23)9-19-17(20-15)21-4-6-24-7-5-21/h1-3,8-9,11,23H,4-7,10H2
InChIKeyGTBXAVOPKGEPAA-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.16
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol

6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155545635) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155545635
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol
SMILESOc1c2cnc(N3CCOCC3)nc2cn1Cc1cccc(F)c1
InChIInChI=1S/C17H17FN4O2/c18-13-3-1-2-12(8-13)10-22-11-15-14(16(22)23)9-19-17(20-15)21-4-6-24-7-5-21/h1-3,8-9,11,23H,4-7,10H2
InChIKeyGTBXAVOPKGEPAA-UHFFFAOYSA-N
XLogP2.16
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155545665
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333484
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 110237952
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 122320581
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine
CID 166194806
N-[2-(3-fluorophenyl)ethyl]-6-morpholin-4-ylpyridin-2-amine
CID 90689116
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
(3-fluorophenyl)-[4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92568467
1-[(3-fluorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170598

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol (CID 155545635) is 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol is Oc1c2cnc(N3CCOCC3)nc2cn1Cc1cccc(F)c1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is GTBXAVOPKGEPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-13-3-1-2-12(8-13)10-22-11-15-14(16(22)23)9-19-17(20-15)21-4-6-24-7-5-21/h1-3,8-9,11,23H,4-7,10H2.
What are the key properties of 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol?
6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 328.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155545635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).