N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C20H16F3N5 — CID 11682427

IUPACN-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-c2cnc3c(C(F)(F)F)cccn23)n1)c1ccccc1
InChIInChI=1S/C20H16F3N5/c1-13(14-6-3-2-4-7-14)26-19-24-10-9-16(27-19)17-12-25-18-15(20(21,22)23)8-5-11-28(17)18/h2-13H,1H3,(H,24,26,27)/t13-/m0/s1
InChIKeySELDSNBKUIUGRM-ZDUSSCGKSA-N
MW383.38 g/mol
LogP4.98
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 11682427) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID11682427
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-c2cnc3c(C(F)(F)F)cccn23)n1)c1ccccc1
InChIInChI=1S/C20H16F3N5/c1-13(14-6-3-2-4-7-14)26-19-24-10-9-16(27-19)17-12-25-18-15(20(21,22)23)8-5-11-28(17)18/h2-13H,1H3,(H,24,26,27)/t13-/m0/s1
InChIKeySELDSNBKUIUGRM-ZDUSSCGKSA-N
XLogP4.98
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 11682427) is N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is C[C@H](Nc1nccc(-c2cnc3c(C(F)(F)F)cccn23)n1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is SELDSNBKUIUGRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-13(14-6-3-2-4-7-14)26-19-24-10-9-16(27-19)17-12-25-18-15(20(21,22)23)8-5-11-28(17)18/h2-13H,1H3,(H,24,26,27)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 383.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 11682427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).