2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine

C11H10F6N2O2 — CID 86016319

IUPAC2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cc(OCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)4-20-7-3-8(21-5-11(15,16)17)19-9(18-7)6-1-2-6/h3,6H,1-2,4-5H2
InChIKeyMOPXHNIVDVYJBN-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine

2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 86016319) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID86016319
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cc(OCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)4-20-7-3-8(21-5-11(15,16)17)19-9(18-7)6-1-2-6/h3,6H,1-2,4-5H2
InChIKeyMOPXHNIVDVYJBN-UHFFFAOYSA-N
XLogP3.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine 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

Etrimfos
CID 37995
2-Amino-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 4334263
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
4,6-diethoxy-2-methylPyrimidine
CID 12415536
4-Methoxy-6-(2,2,2-trifluoroethoxy)-2-pyrimidinamine
CID 3109473
4,6-Bis(difluoromethoxy)pyrimidin-2-amine
CID 13491823
2-Amino-4,6-diethoxypyrimidine
CID 2337561
4,6-Dimethoxy-2-methylpyrimidine
CID 11040904
2-Ethoxy-4,6-dimethoxypyrimidine
CID 21611214
4-Ethoxy-6-methoxypyrimidin-2-amine
CID 22104173
4-(Difluoromethoxy)-6-(1,1,2,3,3,3-hexafluoropropoxy)-2-methylsulfanylpyrimidine
CID 13961962
4-(2-Butynyloxy)-6-[2,2-bis(trifluoromethyl)propyloxy]pyrimidine
CID 17979107

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine (CID 86016319) is 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1cc(OCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is MOPXHNIVDVYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c12-10(13,14)4-20-7-3-8(21-5-11(15,16)17)19-9(18-7)6-1-2-6/h3,6H,1-2,4-5H2.
What are the key properties of 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 316.20 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 86016319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).