2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol

C24H23N5O3 — CID 122621579

IUPAC2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol
SMILESCC(C)(O)c1ncc(-c2ccc3nc4n(c3n2)C2(CCOc3ccccc32)COC4)cn1
InChIInChI=1S/C24H23N5O3/c1-23(2,30)22-25-11-15(12-26-22)17-7-8-18-21(28-17)29-20(27-18)13-31-14-24(29)9-10-32-19-6-4-3-5-16(19)24/h3-8,11-12,30H,9-10,13-14H2,1-2H3
InChIKeyKZINCZIVLLURGU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.17
Rot. Bonds2

About 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol

2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol (PubChem CID 122621579) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol
PubChem CID122621579
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol
SMILESCC(C)(O)c1ncc(-c2ccc3nc4n(c3n2)C2(CCOc3ccccc32)COC4)cn1
InChIInChI=1S/C24H23N5O3/c1-23(2,30)22-25-11-15(12-26-22)17-7-8-18-21(28-17)29-20(27-18)13-31-14-24(29)9-10-32-19-6-4-3-5-16(19)24/h3-8,11-12,30H,9-10,13-14H2,1-2H3
InChIKeyKZINCZIVLLURGU-UHFFFAOYSA-N
XLogP3.17
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol?
The IUPAC name of 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol (CID 122621579) is 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol is CC(C)(O)c1ncc(-c2ccc3nc4n(c3n2)C2(CCOc3ccccc32)COC4)cn1.
What is the InChIKey of 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol?
The InChIKey is KZINCZIVLLURGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-23(2,30)22-25-11-15(12-26-22)17-7-8-18-21(28-17)29-20(27-18)13-31-14-24(29)9-10-32-19-6-4-3-5-16(19)24/h3-8,11-12,30H,9-10,13-14H2,1-2H3.
What are the key properties of 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol?
2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol has a molecular weight of 429.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,4'-2,3-dihydrochromene]-4-ylpyrimidin-2-yl)propan-2-ol is sourced from PubChem (CID 122621579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).