1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C25H33N5O2 — CID 130200918

IUPAC1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H33N5O2/c1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20/h3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3
InChIKeyYRXRXCPQQDNWGE-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.37
Rot. Bonds5

About 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200918) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200918
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C25H33N5O2/c1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20/h3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3
InChIKeyYRXRXCPQQDNWGE-UHFFFAOYSA-N
XLogP3.37
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200918) is 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C)nc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YRXRXCPQQDNWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19-27-15-21(16-28-19)29-17-23(30(22(29)31)18-24(32)9-6-10-24)11-13-25(26-2,14-12-23)20-7-4-3-5-8-20/h3-5,7-8,15-16,26,32H,6,9-14,17-18H2,1-2H3.
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).