4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C7H8F3N3O2 — CID 3109473

IUPAC4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCOc1cc(OCC(F)(F)F)nc(N)n1
InChIInChI=1S/C7H8F3N3O2/c1-14-4-2-5(13-6(11)12-4)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeySALSWBKYZMNLET-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.01
Rot. Bonds3

About 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 3109473) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID3109473
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCOc1cc(OCC(F)(F)F)nc(N)n1
InChIInChI=1S/C7H8F3N3O2/c1-14-4-2-5(13-6(11)12-4)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeySALSWBKYZMNLET-UHFFFAOYSA-N
XLogP1.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Etrimfos
CID 37995
2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140
4-Fluoro-2,6-dimethoxypyrimidine
CID 594067
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
2-Amino-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 4334263
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 3109473) is 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is COc1cc(OCC(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is SALSWBKYZMNLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-14-4-2-5(13-6(11)12-4)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13).
What are the key properties of 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 223.15 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 3109473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).