4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C15H15F3N6 — CID 155538789

IUPAC4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(C(F)(F)F)nc2c1
InChIInChI=1S/C15H15F3N6/c1-23(2)8-9-4-6-24-11(7-9)22-13(15(16,17)18)12(24)10-3-5-20-14(19)21-10/h3-7H,8H2,1-2H3,(H2,19,20,21)
InChIKeyPEBNYYPFKVJCTQ-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.45
Rot. Bonds3

About 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 155538789) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID155538789
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(C(F)(F)F)nc2c1
InChIInChI=1S/C15H15F3N6/c1-23(2)8-9-4-6-24-11(7-9)22-13(15(16,17)18)12(24)10-3-5-20-14(19)21-10/h3-7H,8H2,1-2H3,(H2,19,20,21)
InChIKeyPEBNYYPFKVJCTQ-UHFFFAOYSA-N
XLogP2.45
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 2
CID 49970
Glu-P 1
CID 49971
Amprolium Hydrochloride
CID 8732
Adipiplon
CID 11198924
Dipraglurant
CID 44557636
Amprolium
CID 73341
PF-4708671
CID 51371303
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 155538789) is 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(N)n3)c(C(F)(F)F)nc2c1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is PEBNYYPFKVJCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6/c1-23(2)8-9-4-6-24-11(7-9)22-13(15(16,17)18)12(24)10-3-5-20-14(19)21-10/h3-7H,8H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 336.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155538789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).