ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate

C13H17F2N3O3 — CID 102973255

IUPACethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CN(C)CCO2)nc1C(F)F
InChIInChI=1S/C13H17F2N3O3/c1-3-20-13(19)8-6-16-12(17-10(8)11(14)15)9-7-18(2)4-5-21-9/h6,9,11H,3-5,7H2,1-2H3
InChIKeyHYEBAASMGBEPAV-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.59
Rot. Bonds4

About ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate

ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate (PubChem CID 102973255) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate
PubChem CID102973255
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Nameethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CN(C)CCO2)nc1C(F)F
InChIInChI=1S/C13H17F2N3O3/c1-3-20-13(19)8-6-16-12(17-10(8)11(14)15)9-7-18(2)4-5-21-9/h6,9,11H,3-5,7H2,1-2H3
InChIKeyHYEBAASMGBEPAV-UHFFFAOYSA-N
XLogP1.59
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-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

4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79668892
ethyl 4-(difluoromethyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 102973247
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664456
1-[4-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]ethanol
CID 79088547
ethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methylpyrimidine-5-carboxylate
CID 102972436
5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79089179
4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79089338
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate (CID 102973255) is ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2CN(C)CCO2)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate?
The InChIKey is HYEBAASMGBEPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c1-3-20-13(19)8-6-16-12(17-10(8)11(14)15)9-7-18(2)4-5-21-9/h6,9,11H,3-5,7H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate?
ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate has a molecular weight of 301.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102973255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).