[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine

C8H10F3N3O — CID 103476547

IUPAC[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-7-13-2-1-6(3-12)14-7/h1-2H,3-5,12H2
InChIKeyKYESCVOOADMLNC-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.01
Rot. Bonds4

About [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine

[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine (PubChem CID 103476547) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine
PubChem CID103476547
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-7-13-2-1-6(3-12)14-7/h1-2H,3-5,12H2
InChIKeyKYESCVOOADMLNC-UHFFFAOYSA-N
XLogP1.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine (CID 103476547) is [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine is NCc1ccnc(COCC(F)(F)F)n1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
The InChIKey is KYESCVOOADMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-7-13-2-1-6(3-12)14-7/h1-2H,3-5,12H2.
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine?
[2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine has a molecular weight of 221.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 103476547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).