[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone

C17H14F3N3O2 — CID 139329690

IUPAC[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H14F3N3O2/c1-3-13-14(15(24)10-4-6-12(25-2)7-5-10)23-9-11(17(18,19)20)8-21-16(23)22-13/h4-9H,3H2,1-2H3
InChIKeyOZAMRGPRWDXRNV-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.55
Rot. Bonds4

About [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone

[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 139329690) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID139329690
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone
SMILESCCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H14F3N3O2/c1-3-13-14(15(24)10-4-6-12(25-2)7-5-10)23-9-11(17(18,19)20)8-21-16(23)22-13/h4-9H,3H2,1-2H3
InChIKeyOZAMRGPRWDXRNV-UHFFFAOYSA-N
XLogP3.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Divaplon
CID 65822
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
(5-Methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 10402951
(5-Methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055762
(7-Methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301018
(7-Methoxy-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301029
(5-Ethyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301030
(5-Methoxy-8-methyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 13301031
(7-Methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301034

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone (CID 139329690) is [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone is CCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OZAMRGPRWDXRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-3-13-14(15(24)10-4-6-12(25-2)7-5-10)23-9-11(17(18,19)20)8-21-16(23)22-13/h4-9H,3H2,1-2H3.
What are the key properties of [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone?
[2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 349.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 139329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).