[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine

C8H10F3N3O — CID 107542403

IUPAC[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-5-2-6(3-12)14-7(13-5)15-4-8(9,10)11/h2H,3-4,12H2,1H3
InChIKeyKLDYMWDSMXQWAV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.18
Rot. Bonds3

About [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine

[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542403) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine
PubChem CID107542403
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-5-2-6(3-12)14-7(13-5)15-4-8(9,10)11/h2H,3-4,12H2,1H3
InChIKeyKLDYMWDSMXQWAV-UHFFFAOYSA-N
XLogP1.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine (CID 107542403) is [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine is Cc1cc(CN)nc(OCC(F)(F)F)n1.
What is the InChIKey of [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine?
The InChIKey is KLDYMWDSMXQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-2-6(3-12)14-7(13-5)15-4-8(9,10)11/h2H,3-4,12H2,1H3.
What are the key properties of [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine?
[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine has a molecular weight of 221.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).