[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C11H16F3N3O — CID 114205972

IUPAC[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-8(18-4-2)10-16-6-7(5-15)9(17-10)11(12,13)14/h6,8H,3-5,15H2,1-2H3
InChIKeyCOZISHOUWCMRMZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.44
Rot. Bonds5

About [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205972) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205972
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-8(18-4-2)10-16-6-7(5-15)9(17-10)11(12,13)14/h6,8H,3-5,15H2,1-2H3
InChIKeyCOZISHOUWCMRMZ-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205972) is [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is CCOC(CC)c1ncc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is COZISHOUWCMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-8(18-4-2)10-16-6-7(5-15)9(17-10)11(12,13)14/h6,8H,3-5,15H2,1-2H3.
What are the key properties of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).