2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C24H32N4O — CID 45226122

IUPAC2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncc(CN2CCC3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)cn1
InChIInChI=1S/C24H32N4O/c1-18(2)22-7-5-20(6-8-22)16-28-11-4-9-24(23(28)29)10-12-27(17-24)15-21-13-25-19(3)26-14-21/h5-8,13-14,18H,4,9-12,15-17H2,1-3H3
InChIKeyVSQLUTMWABIBAD-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.92
Rot. Bonds5

About 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45226122) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45226122
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncc(CN2CCC3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)cn1
InChIInChI=1S/C24H32N4O/c1-18(2)22-7-5-20(6-8-22)16-28-11-4-9-24(23(28)29)10-12-27(17-24)15-21-13-25-19(3)26-14-21/h5-8,13-14,18H,4,9-12,15-17H2,1-3H3
InChIKeyVSQLUTMWABIBAD-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45226122) is 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1ncc(CN2CCC3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)cn1.
What is the InChIKey of 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VSQLUTMWABIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18(2)22-7-5-20(6-8-22)16-28-11-4-9-24(23(28)29)10-12-27(17-24)15-21-13-25-19(3)26-14-21/h5-8,13-14,18H,4,9-12,15-17H2,1-3H3.
What are the key properties of 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 392.55 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-5-yl)methyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45226122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).