2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one

C24H23N5O2 — CID 16725801

IUPAC2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one
SMILESCOc1ccc2c(c1C)CCc1ccc(-c3cncnc3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C24H23N5O2/c1-14-18-7-6-15-4-5-16(17-11-26-13-27-12-17)10-20(15)24(19(18)8-9-21(14)31-3)22(30)29(2)23(25)28-24/h4-5,8-13H,6-7H2,1-3H3,(H2,25,28)
InChIKeyAZBRBAZMRUMCGI-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.59
Rot. Bonds2

About 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one

2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one (PubChem CID 16725801) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one.

Molecular Properties

Compound Name2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one
PubChem CID16725801
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one
SMILESCOc1ccc2c(c1C)CCc1ccc(-c3cncnc3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C24H23N5O2/c1-14-18-7-6-15-4-5-16(17-11-26-13-27-12-17)10-20(15)24(19(18)8-9-21(14)31-3)22(30)29(2)23(25)28-24/h4-5,8-13H,6-7H2,1-3H3,(H2,25,28)
InChIKeyAZBRBAZMRUMCGI-UHFFFAOYSA-N
XLogP2.59
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one?
The IUPAC name of 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one (CID 16725801) is 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one.
What is the SMILES notation for 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one?
The canonical SMILES for 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one is COc1ccc2c(c1C)CCc1ccc(-c3cncnc3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one?
The InChIKey is AZBRBAZMRUMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-18-7-6-15-4-5-16(17-11-26-13-27-12-17)10-20(15)24(19(18)8-9-21(14)31-3)22(30)29(2)23(25)28-24/h4-5,8-13H,6-7H2,1-3H3,(H2,25,28).
What are the key properties of 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one?
2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one has a molecular weight of 413.48 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one is sourced from PubChem (CID 16725801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).