2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine

C16H16F3N3O — CID 123177932

IUPAC2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine
SMILESC=C1N=C(OCc2cc(F)c(F)c(F)c2)CC2=NC(C)(C)CN12
InChIInChI=1S/C16H16F3N3O/c1-9-20-14(6-13-21-16(2,3)8-22(9)13)23-7-10-4-11(17)15(19)12(18)5-10/h4-5H,1,6-8H2,2-3H3
InChIKeyXDMVPZFNLCLIEI-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.39
Rot. Bonds2

About 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine

2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 123177932) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine
PubChem CID123177932
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine
SMILESC=C1N=C(OCc2cc(F)c(F)c(F)c2)CC2=NC(C)(C)CN12
InChIInChI=1S/C16H16F3N3O/c1-9-20-14(6-13-21-16(2,3)8-22(9)13)23-7-10-4-11(17)15(19)12(18)5-10/h4-5H,1,6-8H2,2-3H3
InChIKeyXDMVPZFNLCLIEI-UHFFFAOYSA-N
XLogP3.39
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine
CID 130314630
(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
CID 141409366
tert-butyl 2-methylidene-4-[(3,4,5-trifluorophenyl)methoxy]pyrrolidine-1-carboxylate
CID 151750721
5-ethyl-7,7-dimethyl-2-(4-phenylphenyl)-1-[(3,4,5-trifluorophenyl)methyl]-8H-imidazo[2,1-b]purin-4-one
CID 58192419
tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
(2S)-1,2-dimethyl-8-[(3,4,5-trifluorophenyl)methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407429
2-[3-(difluoromethoxy)-4-methylphenyl]-5-ethyl-7,7-dimethyl-1-[(3,4,5-trifluorophenyl)methyl]-8H-imidazo[2,1-b]purin-4-one
CID 71105061
(3,4,5-trifluorophenyl)methyl methanesulfonate
CID 102620887
4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene
CID 164969778
5-(butoxymethyl)-1,2,3-trifluorobenzene
CID 91719120
1,2,3-trifluoro-5-[[4-(4-propylphenyl)phenoxy]methyl]benzene
CID 90411734
(3,4,5-trifluorophenyl)methyl formate
CID 87066177

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine (CID 123177932) is 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine is C=C1N=C(OCc2cc(F)c(F)c(F)c2)CC2=NC(C)(C)CN12.
What is the InChIKey of 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is XDMVPZFNLCLIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-9-20-14(6-13-21-16(2,3)8-22(9)13)23-7-10-4-11(17)15(19)12(18)5-10/h4-5H,1,6-8H2,2-3H3.
What are the key properties of 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine?
2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 123177932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).