[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine

C18H21FN4 — CID 165396594

IUPAC[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
SMILESC[C@H]1[C@H](F)CN1c1nc2c(c(-c3ccc(CN)cc3)n1)CCC2
InChIInChI=1S/C18H21FN4/c1-11-15(19)10-23(11)18-21-16-4-2-3-14(16)17(22-18)13-7-5-12(9-20)6-8-13/h5-8,11,15H,2-4,9-10,20H2,1H3/t11-,15+/m0/s1
InChIKeyMEWKYNVGNZQPAT-XHDPSFHLSA-N
MW312.39 g/mol
LogP2.64
Rot. Bonds3

About [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine

[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine (PubChem CID 165396594) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
PubChem CID165396594
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
SMILESC[C@H]1[C@H](F)CN1c1nc2c(c(-c3ccc(CN)cc3)n1)CCC2
InChIInChI=1S/C18H21FN4/c1-11-15(19)10-23(11)18-21-16-4-2-3-14(16)17(22-18)13-7-5-12(9-20)6-8-13/h5-8,11,15H,2-4,9-10,20H2,1H3/t11-,15+/m0/s1
InChIKeyMEWKYNVGNZQPAT-XHDPSFHLSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The IUPAC name of [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine (CID 165396594) is [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine is C[C@H]1[C@H](F)CN1c1nc2c(c(-c3ccc(CN)cc3)n1)CCC2.
What is the InChIKey of [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The InChIKey is MEWKYNVGNZQPAT-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H21FN4/c1-11-15(19)10-23(11)18-21-16-4-2-3-14(16)17(22-18)13-7-5-12(9-20)6-8-13/h5-8,11,15H,2-4,9-10,20H2,1H3/t11-,15+/m0/s1.
What are the key properties of [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine has a molecular weight of 312.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine is sourced from PubChem (CID 165396594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).