5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C7H8F3N3O — CID 80858646

IUPAC5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCc1cnc(N)nc1OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-2-12-6(11)13-5(4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeyCTJTUOZLDBFBFD-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.31
Rot. Bonds2

About 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 80858646) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID80858646
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCc1cnc(N)nc1OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4-2-12-6(11)13-5(4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13)
InChIKeyCTJTUOZLDBFBFD-UHFFFAOYSA-N
XLogP1.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
Bis-Pro-5FU
CID 155118873
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774
4-Ethoxypyrimidine
CID 12244941
4-(2,2,2-Trifluoroethoxy)pyrimidin-2-amine
CID 66584553
4-Methoxy-5-methylpyrimidine
CID 13861006
2-Amino-4-methoxypyrimidine-5-carbonitrile
CID 12862263

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 80858646) is 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Cc1cnc(N)nc1OCC(F)(F)F.
What is the InChIKey of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is CTJTUOZLDBFBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-2-12-6(11)13-5(4)14-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13).
What are the key properties of 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 207.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80858646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).