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

C24H31N5O2 — CID 130201025

IUPAC1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C24H31N5O2/c1-25-24(19-6-3-2-4-7-19)12-10-22(11-13-24)16-28(20-14-26-18-27-15-20)21(30)29(22)17-23(31)8-5-9-23/h2-4,6-7,14-15,18,25,31H,5,8-13,16-17H2,1H3
InChIKeyDRPSIHHGKVXDPG-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.06
Rot. Bonds5

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

1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201025) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201025
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C24H31N5O2/c1-25-24(19-6-3-2-4-7-19)12-10-22(11-13-24)16-28(20-14-26-18-27-15-20)21(30)29(22)17-23(31)8-5-9-23/h2-4,6-7,14-15,18,25,31H,5,8-13,16-17H2,1H3
InChIKeyDRPSIHHGKVXDPG-UHFFFAOYSA-N
XLogP3.06
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-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)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one (CID 130201025) is 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(c1cncnc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DRPSIHHGKVXDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-25-24(19-6-3-2-4-7-19)12-10-22(11-13-24)16-28(20-14-26-18-27-15-20)21(30)29(22)17-23(31)8-5-9-23/h2-4,6-7,14-15,18,25,31H,5,8-13,16-17H2,1H3.
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one?
1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 421.55 g/mol, XLogP of 3.06, 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)-8-phenyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).