2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one

C24H16FN3O — CID 52932270

IUPAC2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1cccc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)c1
InChIInChI=1S/C24H16FN3O/c1-13-4-2-5-15(12-13)17-6-3-7-18-19(17)22-20(23(18)29)21(27-24(26)28-22)14-8-10-16(25)11-9-14/h2-12H,1H3,(H2,26,27,28)
InChIKeyOCSXLKDIEJEPRT-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.05
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 52932270) has the molecular formula C24H16FN3O and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID52932270
Molecular FormulaC24H16FN3O
Molecular Weight381.41 g/mol
Exact Mass381.13
IUPAC Name2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1cccc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)c1
InChIInChI=1S/C24H16FN3O/c1-13-4-2-5-15(12-13)17-6-3-7-18-19(17)22-20(23(18)29)21(27-24(26)28-22)14-8-10-16(25)11-9-14/h2-12H,1H3,(H2,26,27,28)
InChIKeyOCSXLKDIEJEPRT-UHFFFAOYSA-N
XLogP5.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one (CID 52932270) is 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one is Cc1cccc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)c1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is OCSXLKDIEJEPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O/c1-13-4-2-5-15(12-13)17-6-3-7-18-19(17)22-20(23(18)29)21(27-24(26)28-22)14-8-10-16(25)11-9-14/h2-12H,1H3,(H2,26,27,28).
What are the key properties of 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 381.41 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-9-(3-methylphenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 52932270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).