3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one

C25H33N3O2 — CID 155754479

IUPAC3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2CC2CC2)C1
InChIInChI=1S/C25H33N3O2/c1-27-13-12-25(30,24(16-27)11-5-8-21(24)14-19-9-10-19)17-28-18-26-22(15-23(28)29)20-6-3-2-4-7-20/h2-4,6-7,15,18-19,21,30H,5,8-14,16-17H2,1H3
InChIKeyOHTJENZVZYYYBF-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.56
Rot. Bonds5

About 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one

3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one (PubChem CID 155754479) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
PubChem CID155754479
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2CC2CC2)C1
InChIInChI=1S/C25H33N3O2/c1-27-13-12-25(30,24(16-27)11-5-8-21(24)14-19-9-10-19)17-28-18-26-22(15-23(28)29)20-6-3-2-4-7-20/h2-4,6-7,15,18-19,21,30H,5,8-14,16-17H2,1H3
InChIKeyOHTJENZVZYYYBF-UHFFFAOYSA-N
XLogP3.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one (CID 155754479) is 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one is CN1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2CC2CC2)C1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The InChIKey is OHTJENZVZYYYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-27-13-12-25(30,24(16-27)11-5-8-21(24)14-19-9-10-19)17-28-18-26-22(15-23(28)29)20-6-3-2-4-7-20/h2-4,6-7,15,18-19,21,30H,5,8-14,16-17H2,1H3.
What are the key properties of 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one has a molecular weight of 407.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethyl)-10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 155754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).