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

C14H15ClF3N5 — CID 129001163

IUPAC5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)c1ncc(Cl)cn1
InChIInChI=1S/C14H15ClF3N5/c1-22(13-19-4-10(15)5-20-13)6-9-2-3-12-21-11(14(16,17)18)8-23(12)7-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyJGOCKDUTNPIPEF-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.04
Rot. Bonds3

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

5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine (PubChem CID 129001163) has the molecular formula C14H15ClF3N5 and a molecular weight of 345.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
PubChem CID129001163
Molecular FormulaC14H15ClF3N5
Molecular Weight345.76 g/mol
Exact Mass345.10
IUPAC Name5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
SMILESCN(CC1CCc2nc(C(F)(F)F)cn2C1)c1ncc(Cl)cn1
InChIInChI=1S/C14H15ClF3N5/c1-22(13-19-4-10(15)5-20-13)6-9-2-3-12-21-11(14(16,17)18)8-23(12)7-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyJGOCKDUTNPIPEF-UHFFFAOYSA-N
XLogP3.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine (CID 129001163) is 5-chloro-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 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine is CN(CC1CCc2nc(C(F)(F)F)cn2C1)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The InChIKey is JGOCKDUTNPIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5/c1-22(13-19-4-10(15)5-20-13)6-9-2-3-12-21-11(14(16,17)18)8-23(12)7-9/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
5-chloro-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 345.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-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 129001163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).