N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H12F3N5 — CID 59728254

IUPACN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN(Cc1cnc[nH]1)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5/c1-2-19(6-8-5-15-7-17-8)10-16-4-3-9(18-10)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,17)
InChIKeyRKOBFPIDEQHBSR-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.24
Rot. Bonds4

About N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 59728254) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID59728254
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN(Cc1cnc[nH]1)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5/c1-2-19(6-8-5-15-7-17-8)10-16-4-3-9(18-10)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,17)
InChIKeyRKOBFPIDEQHBSR-UHFFFAOYSA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 59728254) is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is CCN(Cc1cnc[nH]1)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RKOBFPIDEQHBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-2-19(6-8-5-15-7-17-8)10-16-4-3-9(18-10)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,17).
What are the key properties of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 271.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 59728254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).