methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate

C10H9F3N2O2 — CID 91926328

IUPACmethyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O2/c1-17-9(16)8-14-6(5-2-3-5)4-7(15-8)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyMXLQJECZCYQLFU-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.16
Rot. Bonds2

About methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate

methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate (PubChem CID 91926328) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate
PubChem CID91926328
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Namemethyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O2/c1-17-9(16)8-14-6(5-2-3-5)4-7(15-8)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyMXLQJECZCYQLFU-UHFFFAOYSA-N
XLogP2.16
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate (CID 91926328) is methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate is COC(=O)c1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
The InChIKey is MXLQJECZCYQLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-17-9(16)8-14-6(5-2-3-5)4-7(15-8)10(11,12)13/h4-5H,2-3H2,1H3.
What are the key properties of methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate has a molecular weight of 246.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-6-(trifluoromethyl)pyrimidine-2-carboxylate is sourced from PubChem (CID 91926328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).