ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate

C11H9F4N3O2 — CID 121318992

IUPACethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(C(F)F)cc(C(F)F)nc12
InChIInChI=1S/C11H9F4N3O2/c1-2-20-11(19)7-10-17-5(8(12)13)3-6(9(14)15)18(10)4-16-7/h3-4,8-9H,2H2,1H3
InChIKeyISLHVJATASYHKX-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.78
Rot. Bonds4

About ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate

ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 121318992) has the molecular formula C11H9F4N3O2 and a molecular weight of 291.20 g/mol. Its IUPAC name is ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID121318992
Molecular FormulaC11H9F4N3O2
Molecular Weight291.20 g/mol
Exact Mass291.06
IUPAC Nameethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(C(F)F)cc(C(F)F)nc12
InChIInChI=1S/C11H9F4N3O2/c1-2-20-11(19)7-10-17-5(8(12)13)3-6(9(14)15)18(10)4-16-7/h3-4,8-9H,2H2,1H3
InChIKeyISLHVJATASYHKX-UHFFFAOYSA-N
XLogP2.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-formyl-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987868
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988114
ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103828
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
ethyl 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988139
ethyl 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987810
ethyl 4-cyano-6-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107301

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate (CID 121318992) is ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate is CCOC(=O)c1ncn2c(C(F)F)cc(C(F)F)nc12.
What is the InChIKey of ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is ISLHVJATASYHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O2/c1-2-20-11(19)7-10-17-5(8(12)13)3-6(9(14)15)18(10)4-16-7/h3-4,8-9H,2H2,1H3.
What are the key properties of ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate?
ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 291.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 121318992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).