[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine

C11H16F3N3O — CID 114206012

IUPAC[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine
SMILESCCCc1nc(COCC(F)(F)F)ncc1CN
InChIInChI=1S/C11H16F3N3O/c1-2-3-9-8(4-15)5-16-10(17-9)6-18-7-11(12,13)14/h5H,2-4,6-7,15H2,1H3
InChIKeyGFNZSBLIENWSOD-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.97
Rot. Bonds6

About [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine

[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine (PubChem CID 114206012) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine
PubChem CID114206012
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine
SMILESCCCc1nc(COCC(F)(F)F)ncc1CN
InChIInChI=1S/C11H16F3N3O/c1-2-3-9-8(4-15)5-16-10(17-9)6-18-7-11(12,13)14/h5H,2-4,6-7,15H2,1H3
InChIKeyGFNZSBLIENWSOD-UHFFFAOYSA-N
XLogP1.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine (CID 114206012) is [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine is CCCc1nc(COCC(F)(F)F)ncc1CN.
What is the InChIKey of [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine?
The InChIKey is GFNZSBLIENWSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-3-9-8(4-15)5-16-10(17-9)6-18-7-11(12,13)14/h5H,2-4,6-7,15H2,1H3.
What are the key properties of [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine?
[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).