(2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine

C20H23N5O — CID 141251332

IUPAC(2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
SMILESC1=C(Nc2cc(Oc3ccccc3)ncn2)N[C@@]2(C1)CN1CCC2CC1
InChIInChI=1S/C20H23N5O/c1-2-4-16(5-3-1)26-19-12-18(21-14-22-19)23-17-6-9-20(24-17)13-25-10-7-15(20)8-11-25/h1-6,12,14-15,24H,7-11,13H2,(H,21,22,23)/t20-/m0/s1
InChIKeyUFMHYCHTPZGJIA-FQEVSTJZSA-N
MW349.44 g/mol
LogP2.98
Rot. Bonds4

About (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine

(2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine (PubChem CID 141251332) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine.

Molecular Properties

Compound Name(2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
PubChem CID141251332
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
SMILESC1=C(Nc2cc(Oc3ccccc3)ncn2)N[C@@]2(C1)CN1CCC2CC1
InChIInChI=1S/C20H23N5O/c1-2-4-16(5-3-1)26-19-12-18(21-14-22-19)23-17-6-9-20(24-17)13-25-10-7-15(20)8-11-25/h1-6,12,14-15,24H,7-11,13H2,(H,21,22,23)/t20-/m0/s1
InChIKeyUFMHYCHTPZGJIA-FQEVSTJZSA-N
XLogP2.98
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The IUPAC name of (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine (CID 141251332) is (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine.
What is the SMILES notation for (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The canonical SMILES for (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine is C1=C(Nc2cc(Oc3ccccc3)ncn2)N[C@@]2(C1)CN1CCC2CC1.
What is the InChIKey of (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
The InChIKey is UFMHYCHTPZGJIA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-4-16(5-3-1)26-19-12-18(21-14-22-19)23-17-6-9-20(24-17)13-25-10-7-15(20)8-11-25/h1-6,12,14-15,24H,7-11,13H2,(H,21,22,23)/t20-/m0/s1.
What are the key properties of (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine?
(2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine has a molecular weight of 349.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-phenoxypyrimidin-4-yl)spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine is sourced from PubChem (CID 141251332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).