1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one

C12H16N4O — CID 90329236

IUPAC1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one
SMILESCN1CCC2(CC1)CC(=O)Nc1ncncc12
InChIInChI=1S/C12H16N4O/c1-16-4-2-12(3-5-16)6-10(17)15-11-9(12)7-13-8-14-11/h7-8H,2-6H2,1H3,(H,13,14,15,17)
InChIKeyUPQCHHDYBKMRIY-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.78
Rot. Bonds

About 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one

1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one (PubChem CID 90329236) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one
PubChem CID90329236
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one
SMILESCN1CCC2(CC1)CC(=O)Nc1ncncc12
InChIInChI=1S/C12H16N4O/c1-16-4-2-12(3-5-16)6-10(17)15-11-9(12)7-13-8-14-11/h7-8H,2-6H2,1H3,(H,13,14,15,17)
InChIKeyUPQCHHDYBKMRIY-UHFFFAOYSA-N
XLogP0.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one (CID 90329236) is 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one is CN1CCC2(CC1)CC(=O)Nc1ncncc12.
What is the InChIKey of 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one?
The InChIKey is UPQCHHDYBKMRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-4-2-12(3-5-16)6-10(17)15-11-9(12)7-13-8-14-11/h7-8H,2-6H2,1H3,(H,13,14,15,17).
What are the key properties of 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one?
1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one has a molecular weight of 232.29 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[6,8-dihydropyrido[2,3-d]pyrimidine-5,4'-piperidine]-7-one is sourced from PubChem (CID 90329236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).