2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol

C24H23N5O — CID 122621989

IUPAC2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1ncc(-c2ccc3nc4n(c3n2)C(c2ccccc2)C2CC4C2)cn1
InChIInChI=1S/C24H23N5O/c1-24(2,30)23-25-12-17(13-26-23)18-8-9-19-22(27-18)29-20(14-6-4-3-5-7-14)15-10-16(11-15)21(29)28-19/h3-9,12-13,15-16,20,30H,10-11H2,1-2H3
InChIKeyBIWGMFQTARNCFP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.21
Rot. Bonds3

About 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol

2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol (PubChem CID 122621989) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol
PubChem CID122621989
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1ncc(-c2ccc3nc4n(c3n2)C(c2ccccc2)C2CC4C2)cn1
InChIInChI=1S/C24H23N5O/c1-24(2,30)23-25-12-17(13-26-23)18-8-9-19-22(27-18)29-20(14-6-4-3-5-7-14)15-10-16(11-15)21(29)28-19/h3-9,12-13,15-16,20,30H,10-11H2,1-2H3
InChIKeyBIWGMFQTARNCFP-UHFFFAOYSA-N
XLogP4.21
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol (CID 122621989) is 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol is CC(C)(O)c1ncc(-c2ccc3nc4n(c3n2)C(c2ccccc2)C2CC4C2)cn1.
What is the InChIKey of 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol?
The InChIKey is BIWGMFQTARNCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-24(2,30)23-25-12-17(13-26-23)18-8-9-19-22(27-18)29-20(14-6-4-3-5-7-14)15-10-16(11-15)21(29)28-19/h3-9,12-13,15-16,20,30H,10-11H2,1-2H3.
What are the key properties of 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol?
2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol has a molecular weight of 397.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 122621989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).