N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine

C11H16F3N3O — CID 83189388

IUPACN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC(C)C(F)(F)F)nc1C
InChIInChI=1S/C11H16F3N3O/c1-4-15-5-9-6-16-10(17-7(9)2)18-8(3)11(12,13)14/h6,8,15H,4-5H2,1-3H3
InChIKeyMGBGIUKDHLFSMB-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.22
Rot. Bonds5

About N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine

N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 83189388) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine
PubChem CID83189388
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC(C)C(F)(F)F)nc1C
InChIInChI=1S/C11H16F3N3O/c1-4-15-5-9-6-16-10(17-7(9)2)18-8(3)11(12,13)14/h6,8,15H,4-5H2,1-3H3
InChIKeyMGBGIUKDHLFSMB-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine (CID 83189388) is N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(OC(C)C(F)(F)F)nc1C.
What is the InChIKey of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is MGBGIUKDHLFSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-15-5-9-6-16-10(17-7(9)2)18-8(3)11(12,13)14/h6,8,15H,4-5H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83189388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).