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

C22H27N5O3 — CID 130200971

IUPACmethyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C22H27N5O3/c1-26(2)22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-27(20(29)25-21)17-13-23-18(24-14-17)19(28)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,29)
InChIKeyRCCCTHZYBFJLHJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.56
Rot. Bonds4

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

methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate (PubChem CID 130200971) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate
PubChem CID130200971
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Namemethyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C22H27N5O3/c1-26(2)22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-27(20(29)25-21)17-13-23-18(24-14-17)19(28)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,29)
InChIKeyRCCCTHZYBFJLHJ-UHFFFAOYSA-N
XLogP2.56
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate (CID 130200971) is methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate is COC(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.
What is the InChIKey of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate?
The InChIKey is RCCCTHZYBFJLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-26(2)22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-27(20(29)25-21)17-13-23-18(24-14-17)19(28)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,29).
What are the key properties of methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate?
methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate is sourced from PubChem (CID 130200971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).