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

C14H13F6N5 — CID 129002408

IUPAC4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C14H13F6N5/c15-13(16,17)9-3-4-21-12(24-9)22-5-8-1-2-11-23-10(14(18,19)20)7-25(11)6-8/h3-4,7-8H,1-2,5-6H2,(H,21,22,24)
InChIKeyVZMQVIOJWOKQIR-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.39
Rot. Bonds3

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

4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine (PubChem CID 129002408) has the molecular formula C14H13F6N5 and a molecular weight of 365.28 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
PubChem CID129002408
Molecular FormulaC14H13F6N5
Molecular Weight365.28 g/mol
Exact Mass365.11
IUPAC Name4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C14H13F6N5/c15-13(16,17)9-3-4-21-12(24-9)22-5-8-1-2-11-23-10(14(18,19)20)7-25(11)6-8/h3-4,7-8H,1-2,5-6H2,(H,21,22,24)
InChIKeyVZMQVIOJWOKQIR-UHFFFAOYSA-N
XLogP3.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine (CID 129002408) is 4-(trifluoromethyl)-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-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine is FC(F)(F)c1ccnc(NCC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
The InChIKey is VZMQVIOJWOKQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N5/c15-13(16,17)9-3-4-21-12(24-9)22-5-8-1-2-11-23-10(14(18,19)20)7-25(11)6-8/h3-4,7-8H,1-2,5-6H2,(H,21,22,24).
What are the key properties of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine?
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine has a molecular weight of 365.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 129002408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).