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

C16H19F4N5 — CID 129336733

IUPAC6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1F
InChIInChI=1S/C16H19F4N5/c1-3-11-14(17)15(22-9-21-11)24(2)6-10-4-5-13-23-12(16(18,19)20)8-25(13)7-10/h8-10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyRBWXHBAGHLNWPN-JTQLQIEISA-N
MW357.36 g/mol
LogP3.09
Rot. Bonds4

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

6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (PubChem CID 129336733) has the molecular formula C16H19F4N5 and a molecular weight of 357.36 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
PubChem CID129336733
Molecular FormulaC16H19F4N5
Molecular Weight357.36 g/mol
Exact Mass357.16
IUPAC Name6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1F
InChIInChI=1S/C16H19F4N5/c1-3-11-14(17)15(22-9-21-11)24(2)6-10-4-5-13-23-12(16(18,19)20)8-25(13)7-10/h8-10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyRBWXHBAGHLNWPN-JTQLQIEISA-N
XLogP3.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

3-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazine-2-carbonitrile
CID 129336506
5-chloro-6-[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyridine-3-carboxamide
CID 129330221
5-chloro-6-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyridine-3-carboxamide
CID 129330222
6-methyl-2-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]pyridin-3-ol
CID 129343143
N-[2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]ethanesulfonamide
CID 128966881
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129332902
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129331629
1-methyl-3-(oxan-4-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128998409
1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129335103
6-ethyl-5-fluoro-N-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 155974593
N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129342526
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129001119

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (CID 129336733) is 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is CCc1ncnc(N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The InChIKey is RBWXHBAGHLNWPN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F4N5/c1-3-11-14(17)15(22-9-21-11)24(2)6-10-4-5-13-23-12(16(18,19)20)8-25(13)7-10/h8-10H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine has a molecular weight of 357.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129336733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).