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

C15H18F3N5 — CID 164642198

IUPACN,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCc1cncnc1N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H18F3N5/c1-10-5-19-9-20-14(10)22(2)6-11-3-4-13-21-12(15(16,17)18)8-23(13)7-11/h5,8-9,11H,3-4,6-7H2,1-2H3/t11-/m1/s1
InChIKeyDFMASGJMBFNVKH-LLVKDONJSA-N
MW325.34 g/mol
LogP2.70
Rot. Bonds3

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

N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (PubChem CID 164642198) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
PubChem CID164642198
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC NameN,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCc1cncnc1N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H18F3N5/c1-10-5-19-9-20-14(10)22(2)6-11-3-4-13-21-12(15(16,17)18)8-23(13)7-11/h5,8-9,11H,3-4,6-7H2,1-2H3/t11-/m1/s1
InChIKeyDFMASGJMBFNVKH-LLVKDONJSA-N
XLogP2.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (CID 164642198) is N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is Cc1cncnc1N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The InChIKey is DFMASGJMBFNVKH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-10-5-19-9-20-14(10)22(2)6-11-3-4-13-21-12(15(16,17)18)8-23(13)7-11/h5,8-9,11H,3-4,6-7H2,1-2H3/t11-/m1/s1.
What are the key properties of N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine has a molecular weight of 325.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 164642198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).