1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one

C22H23N5O — CID 68616511

IUPAC1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one
SMILESCC(c1ccccc1)N1c2nc(-c3ccncn3)cc(=O)n2CCC12CCC2
InChIInChI=1S/C22H23N5O/c1-16(17-6-3-2-4-7-17)27-21-25-19(18-8-12-23-15-24-18)14-20(28)26(21)13-11-22(27)9-5-10-22/h2-4,6-8,12,14-16H,5,9-11,13H2,1H3
InChIKeyHSSRQFCNAMVVKL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.59
Rot. Bonds3

About 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one

1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one (PubChem CID 68616511) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one
PubChem CID68616511
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one
SMILESCC(c1ccccc1)N1c2nc(-c3ccncn3)cc(=O)n2CCC12CCC2
InChIInChI=1S/C22H23N5O/c1-16(17-6-3-2-4-7-17)27-21-25-19(18-8-12-23-15-24-18)14-20(28)26(21)13-11-22(27)9-5-10-22/h2-4,6-8,12,14-16H,5,9-11,13H2,1H3
InChIKeyHSSRQFCNAMVVKL-UHFFFAOYSA-N
XLogP3.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one?
The IUPAC name of 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one (CID 68616511) is 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one.
What is the SMILES notation for 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one?
The canonical SMILES for 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one is CC(c1ccccc1)N1c2nc(-c3ccncn3)cc(=O)n2CCC12CCC2.
What is the InChIKey of 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one?
The InChIKey is HSSRQFCNAMVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16(17-6-3-2-4-7-17)27-21-25-19(18-8-12-23-15-24-18)14-20(28)26(21)13-11-22(27)9-5-10-22/h2-4,6-8,12,14-16H,5,9-11,13H2,1H3.
What are the key properties of 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one?
1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one has a molecular weight of 373.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one is sourced from PubChem (CID 68616511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).