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

C7H8F3N3O — CID 80858739

IUPACN-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCNc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-11-6-12-3-2-5(13-6)14-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyYMZAMFSCAQMWAX-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.46
Rot. Bonds3

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

N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 80858739) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID80858739
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCNc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-11-6-12-3-2-5(13-6)14-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyYMZAMFSCAQMWAX-UHFFFAOYSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 80858739) is N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is CNc1nccc(OCC(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is YMZAMFSCAQMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-11-6-12-3-2-5(13-6)14-4-7(8,9)10/h2-3H,4H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 207.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80858739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).