7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine

C26H34FN5O2 — CID 142790046

IUPAC7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1N(c1cccc(OCC3CCCCO3)c1)CC2C1CC(CN2CC(F)C2)C1
InChIInChI=1S/C26H34FN5O2/c27-19-12-31(13-19)11-17-8-18(9-17)23-14-32(25-24(23)29-16-30-26(25)28)20-4-3-6-21(10-20)34-15-22-5-1-2-7-33-22/h3-4,6,10,16-19,22-23H,1-2,5,7-9,11-15H2,(H2,28,29,30)
InChIKeySYWGQVUDFKBSLK-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.92
Rot. Bonds7

About 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine

7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 142790046) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID142790046
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2c1N(c1cccc(OCC3CCCCO3)c1)CC2C1CC(CN2CC(F)C2)C1
InChIInChI=1S/C26H34FN5O2/c27-19-12-31(13-19)11-17-8-18(9-17)23-14-32(25-24(23)29-16-30-26(25)28)20-4-3-6-21(10-20)34-15-22-5-1-2-7-33-22/h3-4,6,10,16-19,22-23H,1-2,5,7-9,11-15H2,(H2,28,29,30)
InChIKeySYWGQVUDFKBSLK-UHFFFAOYSA-N
XLogP3.92
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-[3-[(3-fluoropyrrolidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 67035206
7-[3-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]cyclobutyl]-5-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 67980322
N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine
CID 54792777
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
methyl (2R)-1-[[3-[4-amino-5-[3-(oxan-2-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]pyrrolidine-2-carboxylate
CID 67980636
2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 41444589
5-(oxan-2-ylmethoxy)quinazoline-2,4-diamine
CID 24778297
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine (CID 142790046) is 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine is Nc1ncnc2c1N(c1cccc(OCC3CCCCO3)c1)CC2C1CC(CN2CC(F)C2)C1.
What is the InChIKey of 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is SYWGQVUDFKBSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O2/c27-19-12-31(13-19)11-17-8-18(9-17)23-14-32(25-24(23)29-16-30-26(25)28)20-4-3-6-21(10-20)34-15-22-5-1-2-7-33-22/h3-4,6,10,16-19,22-23H,1-2,5,7-9,11-15H2,(H2,28,29,30).
What are the key properties of 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine?
7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 467.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-fluoroazetidin-1-yl)methyl]cyclobutyl]-5-[3-(oxan-2-ylmethoxy)phenyl]-6,7-dihydropyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142790046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).