(4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

C24H34N4O — CID 97453375

IUPAC(4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cnc(COC)nc3)CC2)C1
InChIInChI=1S/C24H34N4O/c1-3-27-17-22(21-7-5-4-6-8-21)13-24(19-27)9-11-28(12-10-24)16-20-14-25-23(18-29-2)26-15-20/h4-8,14-15,22H,3,9-13,16-19H2,1-2H3/t22-/m0/s1
InChIKeyDQVXFOYGAZQOES-QFIPXVFZSA-N
MW394.56 g/mol
LogP3.71
Rot. Bonds6

About (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

(4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane (PubChem CID 97453375) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
PubChem CID97453375
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name(4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cnc(COC)nc3)CC2)C1
InChIInChI=1S/C24H34N4O/c1-3-27-17-22(21-7-5-4-6-8-21)13-24(19-27)9-11-28(12-10-24)16-20-14-25-23(18-29-2)26-15-20/h4-8,14-15,22H,3,9-13,16-19H2,1-2H3/t22-/m0/s1
InChIKeyDQVXFOYGAZQOES-QFIPXVFZSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane (CID 97453375) is (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane is CCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cnc(COC)nc3)CC2)C1.
What is the InChIKey of (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is DQVXFOYGAZQOES-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34N4O/c1-3-27-17-22(21-7-5-4-6-8-21)13-24(19-27)9-11-28(12-10-24)16-20-14-25-23(18-29-2)26-15-20/h4-8,14-15,22H,3,9-13,16-19H2,1-2H3/t22-/m0/s1.
What are the key properties of (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
(4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 394.56 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97453375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).