4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine

C15H18F3N5O — CID 128998161

IUPAC4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)CC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C15H18F3N5O/c1-22(14-19-6-5-13(21-14)24-2)7-10-3-4-12-20-11(15(16,17)18)9-23(12)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyAFLJWEHNFBROAT-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.40
Rot. Bonds4

About 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine

4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine (PubChem CID 128998161) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
PubChem CID128998161
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)CC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C15H18F3N5O/c1-22(14-19-6-5-13(21-14)24-2)7-10-3-4-12-20-11(15(16,17)18)9-23(12)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyAFLJWEHNFBROAT-UHFFFAOYSA-N
XLogP2.40
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine (CID 128998161) is 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine is COc1ccnc(N(C)CC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The InChIKey is AFLJWEHNFBROAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22(14-19-6-5-13(21-14)24-2)7-10-3-4-12-20-11(15(16,17)18)9-23(12)8-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine has a molecular weight of 341.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 128998161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).