methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate

C10H12F3N3O2 — CID 66286676

IUPACmethyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-6-5-7(14-4-3-10(11,12)13)16-8(15-6)9(17)18-2/h5H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyKFNSHVMHURSISI-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.94
Rot. Bonds4

About methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate (PubChem CID 66286676) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate
PubChem CID66286676
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Namemethyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-6-5-7(14-4-3-10(11,12)13)16-8(15-6)9(17)18-2/h5H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyKFNSHVMHURSISI-UHFFFAOYSA-N
XLogP1.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate (CID 66286676) is methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCC(F)(F)F)n1.
What is the InChIKey of methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate?
The InChIKey is KFNSHVMHURSISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-5-7(14-4-3-10(11,12)13)16-8(15-6)9(17)18-2/h5H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate has a molecular weight of 263.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(3,3,3-trifluoropropylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).