7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C14H14F3N3O — CID 136710062

IUPAC7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCOc1ccccc1C1CCn2cc(C(F)(F)F)nc2N1
InChIInChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)10-6-7-20-8-12(14(15,16)17)19-13(20)18-10/h2-5,8,10H,6-7H2,1H3,(H,18,19)
InChIKeyPODNOGMKKCHYCN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.47
Rot. Bonds2

About 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710062) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710062
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCOc1ccccc1C1CCn2cc(C(F)(F)F)nc2N1
InChIInChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)10-6-7-20-8-12(14(15,16)17)19-13(20)18-10/h2-5,8,10H,6-7H2,1H3,(H,18,19)
InChIKeyPODNOGMKKCHYCN-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710023
2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710492
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286361
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(5R,7R)-7-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 938320
7-(2-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3711164
5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3031281
(5R,7R)-7-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 135682881
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidine
CID 95366752

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710062) is 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is COc1ccccc1C1CCn2cc(C(F)(F)F)nc2N1.
What is the InChIKey of 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is PODNOGMKKCHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-11-5-3-2-4-9(11)10-6-7-20-8-12(14(15,16)17)19-13(20)18-10/h2-5,8,10H,6-7H2,1H3,(H,18,19).
What are the key properties of 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).