methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate

C11H13F3N4O3 — CID 146039377

IUPACmethyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13F3N4O3/c1-20-9(19)6-4-8(15)17-10(16-6)18-2-3-21-7(5-18)11(12,13)14/h4,7H,2-3,5H2,1H3,(H2,15,16,17)
InChIKeyGGHSTXIHRRDSDV-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.61
Rot. Bonds2

About methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate

methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate (PubChem CID 146039377) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate
PubChem CID146039377
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC Namemethyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13F3N4O3/c1-20-9(19)6-4-8(15)17-10(16-6)18-2-3-21-7(5-18)11(12,13)14/h4,7H,2-3,5H2,1H3,(H2,15,16,17)
InChIKeyGGHSTXIHRRDSDV-UHFFFAOYSA-N
XLogP0.61
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate (CID 146039377) is methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(N)nc(N2CCOC(C(F)(F)F)C2)n1.
What is the InChIKey of methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate?
The InChIKey is GGHSTXIHRRDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c1-20-9(19)6-4-8(15)17-10(16-6)18-2-3-21-7(5-18)11(12,13)14/h4,7H,2-3,5H2,1H3,(H2,15,16,17).
What are the key properties of methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate?
methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate has a molecular weight of 306.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 146039377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).