2-phenyl-5H-indeno[1,2-d]pyrimidine

C17H12N2 — CID 10728986

IUPAC2-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C17H12N2/c1-2-6-12(7-3-1)17-18-11-14-10-13-8-4-5-9-15(13)16(14)19-17/h1-9,11H,10H2
InChIKeyGOMPLLCNQNCUNU-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.71
Rot. Bonds1

About 2-phenyl-5H-indeno[1,2-d]pyrimidine

2-phenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 10728986) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-phenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID10728986
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C17H12N2/c1-2-6-12(7-3-1)17-18-11-14-10-13-8-4-5-9-15(13)16(14)19-17/h1-9,11H,10H2
InChIKeyGOMPLLCNQNCUNU-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-phenyl-5H-indeno[1,2-d]pyrimidine (CID 10728986) is 2-phenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2ncc3c(n2)-c2ccccc2C3)cc1.
What is the InChIKey of 2-phenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is GOMPLLCNQNCUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-6-12(7-3-1)17-18-11-14-10-13-8-4-5-9-15(13)16(14)19-17/h1-9,11H,10H2.
What are the key properties of 2-phenyl-5H-indeno[1,2-d]pyrimidine?
2-phenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 10728986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).