8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid

C20H16F3N5O2 — CID 139508781

IUPAC8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N5.C2HF3O2/c1-12-11-14(7-8-20-12)15-16(13-5-3-2-4-6-13)22-18(19)23-10-9-21-17(15)23;3-2(4,5)1(6)7/h2-11H,1H3,(H2,19,22);(H,6,7)
InChIKeyFQXJXJRNZPMILZ-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.98
Rot. Bonds2

About 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid

8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid (PubChem CID 139508781) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
PubChem CID139508781
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N5.C2HF3O2/c1-12-11-14(7-8-20-12)15-16(13-5-3-2-4-6-13)22-18(19)23-10-9-21-17(15)23;3-2(4,5)1(6)7/h2-11H,1H3,(H2,19,22);(H,6,7)
InChIKeyFQXJXJRNZPMILZ-UHFFFAOYSA-N
XLogP3.98
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid (CID 139508781) is 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid is Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FQXJXJRNZPMILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5.C2HF3O2/c1-12-11-14(7-8-20-12)15-16(13-5-3-2-4-6-13)22-18(19)23-10-9-21-17(15)23;3-2(4,5)1(6)7/h2-11H,1H3,(H2,19,22);(H,6,7).
What are the key properties of 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid?
8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid has a molecular weight of 415.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139508781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).