5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile

C14H6F3N3O — CID 169095257

IUPAC5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile
SMILESCc1cc(C#N)cc2c1-c1cnc(C(F)(F)F)nc1C2=O
InChIInChI=1S/C14H6F3N3O/c1-6-2-7(4-18)3-8-10(6)9-5-19-13(14(15,16)17)20-11(9)12(8)21/h2-3,5H,1H3
InChIKeyMBNBGNIMMSSXGZ-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.89
Rot. Bonds

About 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile

5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile (PubChem CID 169095257) has the molecular formula C14H6F3N3O and a molecular weight of 289.22 g/mol. Its IUPAC name is 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile
PubChem CID169095257
Molecular FormulaC14H6F3N3O
Molecular Weight289.22 g/mol
Exact Mass289.05
IUPAC Name5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile
SMILESCc1cc(C#N)cc2c1-c1cnc(C(F)(F)F)nc1C2=O
InChIInChI=1S/C14H6F3N3O/c1-6-2-7(4-18)3-8-10(6)9-5-19-13(14(15,16)17)20-11(9)12(8)21/h2-3,5H,1H3
InChIKeyMBNBGNIMMSSXGZ-UHFFFAOYSA-N
XLogP2.89
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile?
The IUPAC name of 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile (CID 169095257) is 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile is Cc1cc(C#N)cc2c1-c1cnc(C(F)(F)F)nc1C2=O.
What is the InChIKey of 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile?
The InChIKey is MBNBGNIMMSSXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3N3O/c1-6-2-7(4-18)3-8-10(6)9-5-19-13(14(15,16)17)20-11(9)12(8)21/h2-3,5H,1H3.
What are the key properties of 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile?
5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile has a molecular weight of 289.22 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 169095257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).