5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide

C26H34N6O2 — CID 130201389

IUPAC5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(N)=O)nc1)C(=O)N2CC1CCC1
InChIInChI=1S/C26H34N6O2/c1-30(2)26(20-9-4-3-5-10-20)13-11-25(12-14-26)18-31(21-15-28-23(22(27)33)29-16-21)24(34)32(25)17-19-7-6-8-19/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3,(H2,27,33)
InChIKeyYCNWFXRUISDJJB-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.39
Rot. Bonds6

About 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide

5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide (PubChem CID 130201389) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide
PubChem CID130201389
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(N)=O)nc1)C(=O)N2CC1CCC1
InChIInChI=1S/C26H34N6O2/c1-30(2)26(20-9-4-3-5-10-20)13-11-25(12-14-26)18-31(21-15-28-23(22(27)33)29-16-21)24(34)32(25)17-19-7-6-8-19/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3,(H2,27,33)
InChIKeyYCNWFXRUISDJJB-UHFFFAOYSA-N
XLogP3.39
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide (CID 130201389) is 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(N)=O)nc1)C(=O)N2CC1CCC1.
What is the InChIKey of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide?
The InChIKey is YCNWFXRUISDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-30(2)26(20-9-4-3-5-10-20)13-11-25(12-14-26)18-31(21-15-28-23(22(27)33)29-16-21)24(34)32(25)17-19-7-6-8-19/h3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3,(H2,27,33).
What are the key properties of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide?
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 130201389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).