N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H12F3N5O — CID 59728252

IUPACN-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCOc1nccc(N(Cc2cnc[nH]2)CC(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-20-10-16-3-2-9(18-10)19(6-11(12,13)14)5-8-4-15-7-17-8/h2-4,7H,5-6H2,1H3,(H,15,17)
InChIKeyGGPRLEIAFPTFNE-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.78
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 59728252) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID59728252
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCOc1nccc(N(Cc2cnc[nH]2)CC(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-20-10-16-3-2-9(18-10)19(6-11(12,13)14)5-8-4-15-7-17-8/h2-4,7H,5-6H2,1H3,(H,15,17)
InChIKeyGGPRLEIAFPTFNE-UHFFFAOYSA-N
XLogP1.78
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 59728252) is N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is COc1nccc(N(Cc2cnc[nH]2)CC(F)(F)F)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is GGPRLEIAFPTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-20-10-16-3-2-9(18-10)19(6-11(12,13)14)5-8-4-15-7-17-8/h2-4,7H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 59728252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).