(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]

C17H19N3O — CID 129402005

IUPAC(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESc1cnc(CN2CCO[C@@]3(CCc4ccccc43)C2)nc1
InChIInChI=1S/C17H19N3O/c1-2-5-15-14(4-1)6-7-17(15)13-20(10-11-21-17)12-16-18-8-3-9-19-16/h1-5,8-9H,6-7,10-13H2/t17-/m0/s1
InChIKeyBSELSVWORIFSIQ-KRWDZBQOSA-N
MW281.36 g/mol
LogP2.15
Rot. Bonds2

About (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]

(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 129402005) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID129402005
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESc1cnc(CN2CCO[C@@]3(CCc4ccccc43)C2)nc1
InChIInChI=1S/C17H19N3O/c1-2-5-15-14(4-1)6-7-17(15)13-20(10-11-21-17)12-16-18-8-3-9-19-16/h1-5,8-9H,6-7,10-13H2/t17-/m0/s1
InChIKeyBSELSVWORIFSIQ-KRWDZBQOSA-N
XLogP2.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine] (CID 129402005) is (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine] is c1cnc(CN2CCO[C@@]3(CCc4ccccc43)C2)nc1.
What is the InChIKey of (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is BSELSVWORIFSIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-5-15-14(4-1)6-7-17(15)13-20(10-11-21-17)12-16-18-8-3-9-19-16/h1-5,8-9H,6-7,10-13H2/t17-/m0/s1.
What are the key properties of (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine]?
(3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 281.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4'-(pyrimidin-2-ylmethyl)spiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 129402005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).