[2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol

C18H20FN3O — CID 165396762

IUPAC[2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(CO)c(F)c3)n1)CCC2
InChIInChI=1S/C18H20FN3O/c1-11-7-8-22(11)18-20-16-4-2-3-14(16)17(21-18)12-5-6-13(10-23)15(19)9-12/h5-6,9,11,23H,2-4,7-8,10H2,1H3/t11-/m0/s1
InChIKeyWYIHZSYKLNRSCK-NSHDSACASA-N
MW313.38 g/mol
LogP2.86
Rot. Bonds3

About [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol

[2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol (PubChem CID 165396762) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol
PubChem CID165396762
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(CO)c(F)c3)n1)CCC2
InChIInChI=1S/C18H20FN3O/c1-11-7-8-22(11)18-20-16-4-2-3-14(16)17(21-18)12-5-6-13(10-23)15(19)9-12/h5-6,9,11,23H,2-4,7-8,10H2,1H3/t11-/m0/s1
InChIKeyWYIHZSYKLNRSCK-NSHDSACASA-N
XLogP2.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol (CID 165396762) is [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol is C[C@H]1CCN1c1nc2c(c(-c3ccc(CO)c(F)c3)n1)CCC2.
What is the InChIKey of [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol?
The InChIKey is WYIHZSYKLNRSCK-NSHDSACASA-N. The full InChI is InChI=1S/C18H20FN3O/c1-11-7-8-22(11)18-20-16-4-2-3-14(16)17(21-18)12-5-6-13(10-23)15(19)9-12/h5-6,9,11,23H,2-4,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol?
[2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol has a molecular weight of 313.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 165396762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).